2-bromo-1-(3-bromo-4-chlorophenyl)-3-chlorobenzene

C12H6Br2Cl2 — CID 86198617

IUPAC2-bromo-1-(3-bromo-4-chlorophenyl)-3-chlorobenzene
SMILESClc1ccc(-c2cccc(Cl)c2Br)cc1Br
InChIInChI=1S/C12H6Br2Cl2/c13-9-6-7(4-5-10(9)15)8-2-1-3-11(16)12(8)14/h1-6H
InChIKeyPNGJMBZMXUKVQJ-UHFFFAOYSA-N
MW380.89 g/mol
LogP6.19
Rot. Bonds1

About 2-bromo-1-(3-bromo-4-chlorophenyl)-3-chlorobenzene

2-bromo-1-(3-bromo-4-chlorophenyl)-3-chlorobenzene (PubChem CID 86198617) has the molecular formula C12H6Br2Cl2 and a molecular weight of 380.89 g/mol. Its IUPAC name is 2-bromo-1-(3-bromo-4-chlorophenyl)-3-chlorobenzene.

Molecular Properties

Compound Name2-bromo-1-(3-bromo-4-chlorophenyl)-3-chlorobenzene
PubChem CID86198617
Molecular FormulaC12H6Br2Cl2
Molecular Weight380.89 g/mol
Exact Mass377.82
IUPAC Name2-bromo-1-(3-bromo-4-chlorophenyl)-3-chlorobenzene
SMILESClc1ccc(-c2cccc(Cl)c2Br)cc1Br
InChIInChI=1S/C12H6Br2Cl2/c13-9-6-7(4-5-10(9)15)8-2-1-3-11(16)12(8)14/h1-6H
InChIKeyPNGJMBZMXUKVQJ-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.89
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-bromo-4-chlorophenyl)-3-chlorobenzene?
The IUPAC name of 2-bromo-1-(3-bromo-4-chlorophenyl)-3-chlorobenzene (CID 86198617) is 2-bromo-1-(3-bromo-4-chlorophenyl)-3-chlorobenzene.
What is the SMILES notation for 2-bromo-1-(3-bromo-4-chlorophenyl)-3-chlorobenzene?
The canonical SMILES for 2-bromo-1-(3-bromo-4-chlorophenyl)-3-chlorobenzene is Clc1ccc(-c2cccc(Cl)c2Br)cc1Br.
What is the InChIKey of 2-bromo-1-(3-bromo-4-chlorophenyl)-3-chlorobenzene?
The InChIKey is PNGJMBZMXUKVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2Cl2/c13-9-6-7(4-5-10(9)15)8-2-1-3-11(16)12(8)14/h1-6H.
What are the key properties of 2-bromo-1-(3-bromo-4-chlorophenyl)-3-chlorobenzene?
2-bromo-1-(3-bromo-4-chlorophenyl)-3-chlorobenzene has a molecular weight of 380.89 g/mol, XLogP of 6.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3-bromo-4-chlorophenyl)-3-chlorobenzene is sourced from PubChem (CID 86198617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).