1-bromo-4-chloro-2-(2-chloro-6-methylphenyl)benzene

C13H9BrCl2 — CID 81275772

IUPAC1-bromo-4-chloro-2-(2-chloro-6-methylphenyl)benzene
SMILESCc1cccc(Cl)c1-c1cc(Cl)ccc1Br
InChIInChI=1S/C13H9BrCl2/c1-8-3-2-4-12(16)13(8)10-7-9(15)5-6-11(10)14/h2-7H,1H3
InChIKeyWLGCPBWJSRDNLP-UHFFFAOYSA-N
MW316.03 g/mol
LogP5.73
Rot. Bonds1

About 1-bromo-4-chloro-2-(2-chloro-6-methylphenyl)benzene

1-bromo-4-chloro-2-(2-chloro-6-methylphenyl)benzene (PubChem CID 81275772) has the molecular formula C13H9BrCl2 and a molecular weight of 316.03 g/mol. Its IUPAC name is 1-bromo-4-chloro-2-(2-chloro-6-methylphenyl)benzene.

Molecular Properties

Compound Name1-bromo-4-chloro-2-(2-chloro-6-methylphenyl)benzene
PubChem CID81275772
Molecular FormulaC13H9BrCl2
Molecular Weight316.03 g/mol
Exact Mass313.93
IUPAC Name1-bromo-4-chloro-2-(2-chloro-6-methylphenyl)benzene
SMILESCc1cccc(Cl)c1-c1cc(Cl)ccc1Br
InChIInChI=1S/C13H9BrCl2/c1-8-3-2-4-12(16)13(8)10-7-9(15)5-6-11(10)14/h2-7H,1H3
InChIKeyWLGCPBWJSRDNLP-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.03
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-chloro-2-(2-chloro-6-methylphenyl)benzene?
The IUPAC name of 1-bromo-4-chloro-2-(2-chloro-6-methylphenyl)benzene (CID 81275772) is 1-bromo-4-chloro-2-(2-chloro-6-methylphenyl)benzene.
What is the SMILES notation for 1-bromo-4-chloro-2-(2-chloro-6-methylphenyl)benzene?
The canonical SMILES for 1-bromo-4-chloro-2-(2-chloro-6-methylphenyl)benzene is Cc1cccc(Cl)c1-c1cc(Cl)ccc1Br.
What is the InChIKey of 1-bromo-4-chloro-2-(2-chloro-6-methylphenyl)benzene?
The InChIKey is WLGCPBWJSRDNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2/c1-8-3-2-4-12(16)13(8)10-7-9(15)5-6-11(10)14/h2-7H,1H3.
What are the key properties of 1-bromo-4-chloro-2-(2-chloro-6-methylphenyl)benzene?
1-bromo-4-chloro-2-(2-chloro-6-methylphenyl)benzene has a molecular weight of 316.03 g/mol, XLogP of 5.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-chloro-2-(2-chloro-6-methylphenyl)benzene is sourced from PubChem (CID 81275772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).