2-bromo-1-[(2-bromo-4-chlorophenyl)methyl]-4-chlorobenzene

C13H8Br2Cl2 — CID 164883877

IUPAC2-bromo-1-[(2-bromo-4-chlorophenyl)methyl]-4-chlorobenzene
SMILESClc1ccc(Cc2ccc(Cl)cc2Br)c(Br)c1
InChIInChI=1S/C13H8Br2Cl2/c14-12-6-10(16)3-1-8(12)5-9-2-4-11(17)7-13(9)15/h1-4,6-7H,5H2
InChIKeyTUNAKVTWMSUPJH-UHFFFAOYSA-N
MW394.92 g/mol
LogP6.11
Rot. Bonds2

About 2-bromo-1-[(2-bromo-4-chlorophenyl)methyl]-4-chlorobenzene

2-bromo-1-[(2-bromo-4-chlorophenyl)methyl]-4-chlorobenzene (PubChem CID 164883877) has the molecular formula C13H8Br2Cl2 and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-bromo-1-[(2-bromo-4-chlorophenyl)methyl]-4-chlorobenzene.

Molecular Properties

Compound Name2-bromo-1-[(2-bromo-4-chlorophenyl)methyl]-4-chlorobenzene
PubChem CID164883877
Molecular FormulaC13H8Br2Cl2
Molecular Weight394.92 g/mol
Exact Mass391.84
IUPAC Name2-bromo-1-[(2-bromo-4-chlorophenyl)methyl]-4-chlorobenzene
SMILESClc1ccc(Cc2ccc(Cl)cc2Br)c(Br)c1
InChIInChI=1S/C13H8Br2Cl2/c14-12-6-10(16)3-1-8(12)5-9-2-4-11(17)7-13(9)15/h1-4,6-7H,5H2
InChIKeyTUNAKVTWMSUPJH-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.92
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Bromo-4-chloro-1-methylbenzene
CID 609898
2-Bromo-4'-chloro-1,1'-biphenyl
CID 12939405
2-Bromo-4-chloro-1-(1-methylethyl)benzene
CID 67988282
2-Bromo-2'-chloro-1,1'-biphenyl
CID 13614018
4-Bromo-4'-chloro-1,1'-biphenyl
CID 2756876
Benzene, 1,1'-(bromomethylene)bis(4chloro-
CID 95197
1-(2-Bromophenyl)-4-chloro-2-fluorobenzene
CID 134938972
2,2-Bis(4-chlorophenyl)-1,1,1-tribromoethane
CID 20426
Ethane, 1,1-bis(4-chlorophenyl)-2,2-dibromo-
CID 101326
2-Bromo-1-(bromomethyl)-4-chlorobenzene
CID 10613066
3-Bromo-5-chlorobiphenyl
CID 14452541
4-Bromo-4'-chloro-2-fluoro-1,1'-biphenyl
CID 19042620

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[(2-bromo-4-chlorophenyl)methyl]-4-chlorobenzene?
The IUPAC name of 2-bromo-1-[(2-bromo-4-chlorophenyl)methyl]-4-chlorobenzene (CID 164883877) is 2-bromo-1-[(2-bromo-4-chlorophenyl)methyl]-4-chlorobenzene.
What is the SMILES notation for 2-bromo-1-[(2-bromo-4-chlorophenyl)methyl]-4-chlorobenzene?
The canonical SMILES for 2-bromo-1-[(2-bromo-4-chlorophenyl)methyl]-4-chlorobenzene is Clc1ccc(Cc2ccc(Cl)cc2Br)c(Br)c1.
What is the InChIKey of 2-bromo-1-[(2-bromo-4-chlorophenyl)methyl]-4-chlorobenzene?
The InChIKey is TUNAKVTWMSUPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2Cl2/c14-12-6-10(16)3-1-8(12)5-9-2-4-11(17)7-13(9)15/h1-4,6-7H,5H2.
What are the key properties of 2-bromo-1-[(2-bromo-4-chlorophenyl)methyl]-4-chlorobenzene?
2-bromo-1-[(2-bromo-4-chlorophenyl)methyl]-4-chlorobenzene has a molecular weight of 394.92 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[(2-bromo-4-chlorophenyl)methyl]-4-chlorobenzene is sourced from PubChem (CID 164883877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).