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-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;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-nitro-5-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene

C196H236Br4Cl10F20N8O6 — CID 157352149

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-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;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-nitro-5-(trifluoromethyl)benzene;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([N+](=O)[O-])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(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)cc1Cl
InChIInChI=1S/C11H12BrF3.C11H12ClF3.C11H15Cl.C11H12F3NO2.2C11H13F3.C11H12FN.C10H12BrF.C10H13Br.C10H12Cl2.C10H11ClN2O.C10H12ClNO2.3C10H13Cl.C10H12F2.C10H13F.C10H12N2O.C9H11BrClN/c1-10(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)7-4-8(11(12,13)14)6-9(5-7)15(16)17;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;1-10(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)7-4-5-8(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/h2*4-6H,1-3H3;5-7H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;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
InChIKeyBHQVYVTUNDHDER-UHFFFAOYSA-N
MW3854.20 g/mol
LogP70.54
Rot. Bonds2

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-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;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-nitro-5-(trifluoromethyl)benzene;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-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;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-nitro-5-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene (PubChem CID 157352149) has the molecular formula C196H236Br4Cl10F20N8O6 and a molecular weight of 3854.20 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-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;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-nitro-5-(trifluoromethyl)benzene;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-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;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-nitro-5-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene
PubChem CID157352149
Molecular FormulaC196H236Br4Cl10F20N8O6
Molecular Weight3854.20 g/mol
Exact Mass3843.17
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-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;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-nitro-5-(trifluoromethyl)benzene;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([N+](=O)[O-])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(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)cc1Cl
InChIInChI=1S/C11H12BrF3.C11H12ClF3.C11H15Cl.C11H12F3NO2.2C11H13F3.C11H12FN.C10H12BrF.C10H13Br.C10H12Cl2.C10H11ClN2O.C10H12ClNO2.3C10H13Cl.C10H12F2.C10H13F.C10H12N2O.C9H11BrClN/c1-10(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)7-4-8(11(12,13)14)6-9(5-7)15(16)17;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;1-10(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)7-4-5-8(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/h2*4-6H,1-3H3;5-7H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;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
InChIKeyBHQVYVTUNDHDER-UHFFFAOYSA-N
XLogP70.54
TPSA200.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms244
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003854.20
LogP ≤ 570.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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-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;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-nitro-5-(trifluoromethyl)benzene;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-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;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-nitro-5-(trifluoromethyl)benzene;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-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;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-nitro-5-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene (CID 157352149) 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-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;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-nitro-5-(trifluoromethyl)benzene;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-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;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-nitro-5-(trifluoromethyl)benzene;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-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;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-nitro-5-(trifluoromethyl)benzene;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([N+](=O)[O-])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(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)cc1Cl.
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-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;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-nitro-5-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene?
The InChIKey is BHQVYVTUNDHDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3.C11H12ClF3.C11H15Cl.C11H12F3NO2.2C11H13F3.C11H12FN.C10H12BrF.C10H13Br.C10H12Cl2.C10H11ClN2O.C10H12ClNO2.3C10H13Cl.C10H12F2.C10H13F.C10H12N2O.C9H11BrClN/c1-10(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)7-4-8(11(12,13)14)6-9(5-7)15(16)17;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;1-10(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)7-4-5-8(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/h2*4-6H,1-3H3;5-7H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;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-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;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-nitro-5-(trifluoromethyl)benzene;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-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;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-nitro-5-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene has a molecular weight of 3854.20 g/mol, XLogP of 70.54, 2 rotatable bonds, 0 hydrogen bond donors, and 12 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-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;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-nitro-5-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 157352149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).