1-bromo-4-tert-butylbenzene;3-bromo-5-tert-butyl-2-chloropyridine;1-bromo-4-tert-butyl-2-fluorobenzene;1-bromo-3-tert-butyl-5-(trifluoromethyl)benzene;4-tert-butyl-2,1,3-benzoxadiazole;1-tert-butyl-3,5-bis(trifluoromethyl)benzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;7-tert-butyl-4-chloro-2,1,3-benzoxadiazole;4-tert-butyl-2-chloro-1-methylbenzene;4-tert-butyl-1-chloro-2-nitrobenzene;4-tert-butyl-1-chloro-2-(trifluoromethyl)benzene;1-tert-butyl-2,4-dichlorobenzene;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;5-tert-butyl-2-fluorobenzonitrile;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene

C229H280Br4Cl12F23N7O4 — CID 161086912

IUPAC1-bromo-4-tert-butylbenzene;3-bromo-5-tert-butyl-2-chloropyridine;1-bromo-4-tert-butyl-2-fluorobenzene;1-bromo-3-tert-butyl-5-(trifluoromethyl)benzene;4-tert-butyl-2,1,3-benzoxadiazole;1-tert-butyl-3,5-bis(trifluoromethyl)benzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;7-tert-butyl-4-chloro-2,1,3-benzoxadiazole;4-tert-butyl-2-chloro-1-methylbenzene;4-tert-butyl-1-chloro-2-nitrobenzene;4-tert-butyl-1-chloro-2-(trifluoromethyl)benzene;1-tert-butyl-2,4-dichlorobenzene;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;5-tert-butyl-2-fluorobenzonitrile;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene
SMILESCC(C)(C)c1cc(Br)cc(C(F)(F)F)c1.CC(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC(C)(C)c1ccc(Br)c(F)c1.CC(C)(C)c1ccc(Br)cc1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(Cl)c(C(F)(F)F)c1.CC(C)(C)c1ccc(Cl)c(Cl)c1.CC(C)(C)c1ccc(Cl)c([N+](=O)[O-])c1.CC(C)(C)c1ccc(Cl)c2nonc12.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(Cl)cc1Cl.CC(C)(C)c1ccc(F)c(C#N)c1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc2nonc12.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1cnc(Cl)c(Br)c1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1Cl.Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C12H12F6.C11H12BrF3.C11H12ClF3.C11H15Cl.2C11H13F3.C11H12FN.2C11H16.C10H12BrF.C10H13Br.2C10H12Cl2.C10H11ClN2O.C10H12ClNO2.3C10H13Cl.C10H12F2.C10H13F.C10H12N2O.C9H11BrClN/c1-10(2,3)7-4-8(11(13,14)15)6-9(5-7)12(16,17)18;1-10(2,3)7-4-8(11(13,14)15)6-9(12)5-7;1-10(2,3)7-4-5-9(12)8(6-7)11(13,14)15;1-8-5-6-9(7-10(8)12)11(2,3)4;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-11(2,3)9-4-5-10(12)8(6-9)7-13;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-7(11)6-9(8)12;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)6-4-5-7(11)9-8(6)12-14-13-9;1-10(2,3)7-4-5-8(11)9(6-7)12(13)14;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)7-5-4-6-8-9(7)12-13-11-8;1-9(2,3)6-4-7(10)8(11)12-5-6/h4-6H,1-3H3;2*4-6H,1-3H3;5-7H,1-4H3;2*4-7H,1-3H3;4-6H,1-3H3;2*5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;3*4-7H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;4-5H,1-3H3
InChIKeyUGQJERAMTBAYHP-UHFFFAOYSA-N
MW4376.81 g/mol
LogP82.52
Rot. Bonds1

About 1-bromo-4-tert-butylbenzene;3-bromo-5-tert-butyl-2-chloropyridine;1-bromo-4-tert-butyl-2-fluorobenzene;1-bromo-3-tert-butyl-5-(trifluoromethyl)benzene;4-tert-butyl-2,1,3-benzoxadiazole;1-tert-butyl-3,5-bis(trifluoromethyl)benzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;7-tert-butyl-4-chloro-2,1,3-benzoxadiazole;4-tert-butyl-2-chloro-1-methylbenzene;4-tert-butyl-1-chloro-2-nitrobenzene;4-tert-butyl-1-chloro-2-(trifluoromethyl)benzene;1-tert-butyl-2,4-dichlorobenzene;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;5-tert-butyl-2-fluorobenzonitrile;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene

1-bromo-4-tert-butylbenzene;3-bromo-5-tert-butyl-2-chloropyridine;1-bromo-4-tert-butyl-2-fluorobenzene;1-bromo-3-tert-butyl-5-(trifluoromethyl)benzene;4-tert-butyl-2,1,3-benzoxadiazole;1-tert-butyl-3,5-bis(trifluoromethyl)benzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;7-tert-butyl-4-chloro-2,1,3-benzoxadiazole;4-tert-butyl-2-chloro-1-methylbenzene;4-tert-butyl-1-chloro-2-nitrobenzene;4-tert-butyl-1-chloro-2-(trifluoromethyl)benzene;1-tert-butyl-2,4-dichlorobenzene;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;5-tert-butyl-2-fluorobenzonitrile;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene (PubChem CID 161086912) has the molecular formula C229H280Br4Cl12F23N7O4 and a molecular weight of 4376.81 g/mol. Its IUPAC name is 1-bromo-4-tert-butylbenzene;3-bromo-5-tert-butyl-2-chloropyridine;1-bromo-4-tert-butyl-2-fluorobenzene;1-bromo-3-tert-butyl-5-(trifluoromethyl)benzene;4-tert-butyl-2,1,3-benzoxadiazole;1-tert-butyl-3,5-bis(trifluoromethyl)benzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;7-tert-butyl-4-chloro-2,1,3-benzoxadiazole;4-tert-butyl-2-chloro-1-methylbenzene;4-tert-butyl-1-chloro-2-nitrobenzene;4-tert-butyl-1-chloro-2-(trifluoromethyl)benzene;1-tert-butyl-2,4-dichlorobenzene;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;5-tert-butyl-2-fluorobenzonitrile;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-tert-butylbenzene;3-bromo-5-tert-butyl-2-chloropyridine;1-bromo-4-tert-butyl-2-fluorobenzene;1-bromo-3-tert-butyl-5-(trifluoromethyl)benzene;4-tert-butyl-2,1,3-benzoxadiazole;1-tert-butyl-3,5-bis(trifluoromethyl)benzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;7-tert-butyl-4-chloro-2,1,3-benzoxadiazole;4-tert-butyl-2-chloro-1-methylbenzene;4-tert-butyl-1-chloro-2-nitrobenzene;4-tert-butyl-1-chloro-2-(trifluoromethyl)benzene;1-tert-butyl-2,4-dichlorobenzene;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;5-tert-butyl-2-fluorobenzonitrile;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene
PubChem CID161086912
Molecular FormulaC229H280Br4Cl12F23N7O4
Molecular Weight4376.81 g/mol
Exact Mass4364.46
IUPAC Name1-bromo-4-tert-butylbenzene;3-bromo-5-tert-butyl-2-chloropyridine;1-bromo-4-tert-butyl-2-fluorobenzene;1-bromo-3-tert-butyl-5-(trifluoromethyl)benzene;4-tert-butyl-2,1,3-benzoxadiazole;1-tert-butyl-3,5-bis(trifluoromethyl)benzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;7-tert-butyl-4-chloro-2,1,3-benzoxadiazole;4-tert-butyl-2-chloro-1-methylbenzene;4-tert-butyl-1-chloro-2-nitrobenzene;4-tert-butyl-1-chloro-2-(trifluoromethyl)benzene;1-tert-butyl-2,4-dichlorobenzene;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;5-tert-butyl-2-fluorobenzonitrile;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene
SMILESCC(C)(C)c1cc(Br)cc(C(F)(F)F)c1.CC(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC(C)(C)c1ccc(Br)c(F)c1.CC(C)(C)c1ccc(Br)cc1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(Cl)c(C(F)(F)F)c1.CC(C)(C)c1ccc(Cl)c(Cl)c1.CC(C)(C)c1ccc(Cl)c([N+](=O)[O-])c1.CC(C)(C)c1ccc(Cl)c2nonc12.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(Cl)cc1Cl.CC(C)(C)c1ccc(F)c(C#N)c1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc2nonc12.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1cnc(Cl)c(Br)c1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1Cl.Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C12H12F6.C11H12BrF3.C11H12ClF3.C11H15Cl.2C11H13F3.C11H12FN.2C11H16.C10H12BrF.C10H13Br.2C10H12Cl2.C10H11ClN2O.C10H12ClNO2.3C10H13Cl.C10H12F2.C10H13F.C10H12N2O.C9H11BrClN/c1-10(2,3)7-4-8(11(13,14)15)6-9(5-7)12(16,17)18;1-10(2,3)7-4-8(11(13,14)15)6-9(12)5-7;1-10(2,3)7-4-5-9(12)8(6-7)11(13,14)15;1-8-5-6-9(7-10(8)12)11(2,3)4;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-11(2,3)9-4-5-10(12)8(6-9)7-13;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-7(11)6-9(8)12;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)6-4-5-7(11)9-8(6)12-14-13-9;1-10(2,3)7-4-5-8(11)9(6-7)12(13)14;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)7-5-4-6-8-9(7)12-13-11-8;1-9(2,3)6-4-7(10)8(11)12-5-6/h4-6H,1-3H3;2*4-6H,1-3H3;5-7H,1-4H3;2*4-7H,1-3H3;4-6H,1-3H3;2*5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;3*4-7H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;4-5H,1-3H3
InChIKeyUGQJERAMTBAYHP-UHFFFAOYSA-N
XLogP82.52
TPSA157.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms279
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004376.81
LogP ≤ 582.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-bromo-4-tert-butylbenzene;3-bromo-5-tert-butyl-2-chloropyridine;1-bromo-4-tert-butyl-2-fluorobenzene;1-bromo-3-tert-butyl-5-(trifluoromethyl)benzene;4-tert-butyl-2,1,3-benzoxadiazole;1-tert-butyl-3,5-bis(trifluoromethyl)benzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;7-tert-butyl-4-chloro-2,1,3-benzoxadiazole;4-tert-butyl-2-chloro-1-methylbenzene;4-tert-butyl-1-chloro-2-nitrobenzene;4-tert-butyl-1-chloro-2-(trifluoromethyl)benzene;1-tert-butyl-2,4-dichlorobenzene;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;5-tert-butyl-2-fluorobenzonitrile;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-tert-butylbenzene;3-bromo-5-tert-butyl-2-chloropyridine;1-bromo-4-tert-butyl-2-fluorobenzene;1-bromo-3-tert-butyl-5-(trifluoromethyl)benzene;4-tert-butyl-2,1,3-benzoxadiazole;1-tert-butyl-3,5-bis(trifluoromethyl)benzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;7-tert-butyl-4-chloro-2,1,3-benzoxadiazole;4-tert-butyl-2-chloro-1-methylbenzene;4-tert-butyl-1-chloro-2-nitrobenzene;4-tert-butyl-1-chloro-2-(trifluoromethyl)benzene;1-tert-butyl-2,4-dichlorobenzene;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;5-tert-butyl-2-fluorobenzonitrile;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-4-tert-butylbenzene;3-bromo-5-tert-butyl-2-chloropyridine;1-bromo-4-tert-butyl-2-fluorobenzene;1-bromo-3-tert-butyl-5-(trifluoromethyl)benzene;4-tert-butyl-2,1,3-benzoxadiazole;1-tert-butyl-3,5-bis(trifluoromethyl)benzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;7-tert-butyl-4-chloro-2,1,3-benzoxadiazole;4-tert-butyl-2-chloro-1-methylbenzene;4-tert-butyl-1-chloro-2-nitrobenzene;4-tert-butyl-1-chloro-2-(trifluoromethyl)benzene;1-tert-butyl-2,4-dichlorobenzene;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;5-tert-butyl-2-fluorobenzonitrile;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene (CID 161086912) is 1-bromo-4-tert-butylbenzene;3-bromo-5-tert-butyl-2-chloropyridine;1-bromo-4-tert-butyl-2-fluorobenzene;1-bromo-3-tert-butyl-5-(trifluoromethyl)benzene;4-tert-butyl-2,1,3-benzoxadiazole;1-tert-butyl-3,5-bis(trifluoromethyl)benzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;7-tert-butyl-4-chloro-2,1,3-benzoxadiazole;4-tert-butyl-2-chloro-1-methylbenzene;4-tert-butyl-1-chloro-2-nitrobenzene;4-tert-butyl-1-chloro-2-(trifluoromethyl)benzene;1-tert-butyl-2,4-dichlorobenzene;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;5-tert-butyl-2-fluorobenzonitrile;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-4-tert-butylbenzene;3-bromo-5-tert-butyl-2-chloropyridine;1-bromo-4-tert-butyl-2-fluorobenzene;1-bromo-3-tert-butyl-5-(trifluoromethyl)benzene;4-tert-butyl-2,1,3-benzoxadiazole;1-tert-butyl-3,5-bis(trifluoromethyl)benzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;7-tert-butyl-4-chloro-2,1,3-benzoxadiazole;4-tert-butyl-2-chloro-1-methylbenzene;4-tert-butyl-1-chloro-2-nitrobenzene;4-tert-butyl-1-chloro-2-(trifluoromethyl)benzene;1-tert-butyl-2,4-dichlorobenzene;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;5-tert-butyl-2-fluorobenzonitrile;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-4-tert-butylbenzene;3-bromo-5-tert-butyl-2-chloropyridine;1-bromo-4-tert-butyl-2-fluorobenzene;1-bromo-3-tert-butyl-5-(trifluoromethyl)benzene;4-tert-butyl-2,1,3-benzoxadiazole;1-tert-butyl-3,5-bis(trifluoromethyl)benzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;7-tert-butyl-4-chloro-2,1,3-benzoxadiazole;4-tert-butyl-2-chloro-1-methylbenzene;4-tert-butyl-1-chloro-2-nitrobenzene;4-tert-butyl-1-chloro-2-(trifluoromethyl)benzene;1-tert-butyl-2,4-dichlorobenzene;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;5-tert-butyl-2-fluorobenzonitrile;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene is CC(C)(C)c1cc(Br)cc(C(F)(F)F)c1.CC(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC(C)(C)c1ccc(Br)c(F)c1.CC(C)(C)c1ccc(Br)cc1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(Cl)c(C(F)(F)F)c1.CC(C)(C)c1ccc(Cl)c(Cl)c1.CC(C)(C)c1ccc(Cl)c([N+](=O)[O-])c1.CC(C)(C)c1ccc(Cl)c2nonc12.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(Cl)cc1Cl.CC(C)(C)c1ccc(F)c(C#N)c1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc2nonc12.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1cnc(Cl)c(Br)c1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1Cl.Cc1cccc(C(C)(C)C)c1.
What is the InChIKey of 1-bromo-4-tert-butylbenzene;3-bromo-5-tert-butyl-2-chloropyridine;1-bromo-4-tert-butyl-2-fluorobenzene;1-bromo-3-tert-butyl-5-(trifluoromethyl)benzene;4-tert-butyl-2,1,3-benzoxadiazole;1-tert-butyl-3,5-bis(trifluoromethyl)benzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;7-tert-butyl-4-chloro-2,1,3-benzoxadiazole;4-tert-butyl-2-chloro-1-methylbenzene;4-tert-butyl-1-chloro-2-nitrobenzene;4-tert-butyl-1-chloro-2-(trifluoromethyl)benzene;1-tert-butyl-2,4-dichlorobenzene;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;5-tert-butyl-2-fluorobenzonitrile;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene?
The InChIKey is UGQJERAMTBAYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6.C11H12BrF3.C11H12ClF3.C11H15Cl.2C11H13F3.C11H12FN.2C11H16.C10H12BrF.C10H13Br.2C10H12Cl2.C10H11ClN2O.C10H12ClNO2.3C10H13Cl.C10H12F2.C10H13F.C10H12N2O.C9H11BrClN/c1-10(2,3)7-4-8(11(13,14)15)6-9(5-7)12(16,17)18;1-10(2,3)7-4-8(11(13,14)15)6-9(12)5-7;1-10(2,3)7-4-5-9(12)8(6-7)11(13,14)15;1-8-5-6-9(7-10(8)12)11(2,3)4;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-11(2,3)9-4-5-10(12)8(6-9)7-13;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-7(11)6-9(8)12;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)6-4-5-7(11)9-8(6)12-14-13-9;1-10(2,3)7-4-5-8(11)9(6-7)12(13)14;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)7-5-4-6-8-9(7)12-13-11-8;1-9(2,3)6-4-7(10)8(11)12-5-6/h4-6H,1-3H3;2*4-6H,1-3H3;5-7H,1-4H3;2*4-7H,1-3H3;4-6H,1-3H3;2*5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;3*4-7H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;4-5H,1-3H3.
What are the key properties of 1-bromo-4-tert-butylbenzene;3-bromo-5-tert-butyl-2-chloropyridine;1-bromo-4-tert-butyl-2-fluorobenzene;1-bromo-3-tert-butyl-5-(trifluoromethyl)benzene;4-tert-butyl-2,1,3-benzoxadiazole;1-tert-butyl-3,5-bis(trifluoromethyl)benzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;7-tert-butyl-4-chloro-2,1,3-benzoxadiazole;4-tert-butyl-2-chloro-1-methylbenzene;4-tert-butyl-1-chloro-2-nitrobenzene;4-tert-butyl-1-chloro-2-(trifluoromethyl)benzene;1-tert-butyl-2,4-dichlorobenzene;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;5-tert-butyl-2-fluorobenzonitrile;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene?
1-bromo-4-tert-butylbenzene;3-bromo-5-tert-butyl-2-chloropyridine;1-bromo-4-tert-butyl-2-fluorobenzene;1-bromo-3-tert-butyl-5-(trifluoromethyl)benzene;4-tert-butyl-2,1,3-benzoxadiazole;1-tert-butyl-3,5-bis(trifluoromethyl)benzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;7-tert-butyl-4-chloro-2,1,3-benzoxadiazole;4-tert-butyl-2-chloro-1-methylbenzene;4-tert-butyl-1-chloro-2-nitrobenzene;4-tert-butyl-1-chloro-2-(trifluoromethyl)benzene;1-tert-butyl-2,4-dichlorobenzene;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;5-tert-butyl-2-fluorobenzonitrile;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene has a molecular weight of 4376.81 g/mol, XLogP of 82.52, 1 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-tert-butylbenzene;3-bromo-5-tert-butyl-2-chloropyridine;1-bromo-4-tert-butyl-2-fluorobenzene;1-bromo-3-tert-butyl-5-(trifluoromethyl)benzene;4-tert-butyl-2,1,3-benzoxadiazole;1-tert-butyl-3,5-bis(trifluoromethyl)benzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;7-tert-butyl-4-chloro-2,1,3-benzoxadiazole;4-tert-butyl-2-chloro-1-methylbenzene;4-tert-butyl-1-chloro-2-nitrobenzene;4-tert-butyl-1-chloro-2-(trifluoromethyl)benzene;1-tert-butyl-2,4-dichlorobenzene;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;5-tert-butyl-2-fluorobenzonitrile;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 161086912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).