1-bromo-3-chloro-2-(3-chlorophenyl)benzene

C12H7BrCl2 — CID 57354961

IUPAC1-bromo-3-chloro-2-(3-chlorophenyl)benzene
SMILESClc1cccc(-c2c(Cl)cccc2Br)c1
InChIInChI=1S/C12H7BrCl2/c13-10-5-2-6-11(15)12(10)8-3-1-4-9(14)7-8/h1-7H
InChIKeyCWEOGAQALDQVHO-UHFFFAOYSA-N
MW302.00 g/mol
LogP5.42
Rot. Bonds1

About 1-bromo-3-chloro-2-(3-chlorophenyl)benzene

1-bromo-3-chloro-2-(3-chlorophenyl)benzene (PubChem CID 57354961) has the molecular formula C12H7BrCl2 and a molecular weight of 302.00 g/mol. Its IUPAC name is 1-bromo-3-chloro-2-(3-chlorophenyl)benzene.

Molecular Properties

Compound Name1-bromo-3-chloro-2-(3-chlorophenyl)benzene
PubChem CID57354961
Molecular FormulaC12H7BrCl2
Molecular Weight302.00 g/mol
Exact Mass299.91
IUPAC Name1-bromo-3-chloro-2-(3-chlorophenyl)benzene
SMILESClc1cccc(-c2c(Cl)cccc2Br)c1
InChIInChI=1S/C12H7BrCl2/c13-10-5-2-6-11(15)12(10)8-3-1-4-9(14)7-8/h1-7H
InChIKeyCWEOGAQALDQVHO-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.00
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-2-(3-chlorophenyl)benzene?
The IUPAC name of 1-bromo-3-chloro-2-(3-chlorophenyl)benzene (CID 57354961) is 1-bromo-3-chloro-2-(3-chlorophenyl)benzene.
What is the SMILES notation for 1-bromo-3-chloro-2-(3-chlorophenyl)benzene?
The canonical SMILES for 1-bromo-3-chloro-2-(3-chlorophenyl)benzene is Clc1cccc(-c2c(Cl)cccc2Br)c1.
What is the InChIKey of 1-bromo-3-chloro-2-(3-chlorophenyl)benzene?
The InChIKey is CWEOGAQALDQVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2/c13-10-5-2-6-11(15)12(10)8-3-1-4-9(14)7-8/h1-7H.
What are the key properties of 1-bromo-3-chloro-2-(3-chlorophenyl)benzene?
1-bromo-3-chloro-2-(3-chlorophenyl)benzene has a molecular weight of 302.00 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-2-(3-chlorophenyl)benzene is sourced from PubChem (CID 57354961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).