2-bromo-1-(2-bromophenyl)-3-chlorobenzene

C12H7Br2Cl — CID 175669907

IUPAC2-bromo-1-(2-bromophenyl)-3-chlorobenzene
SMILESClc1cccc(-c2ccccc2Br)c1Br
InChIInChI=1S/C12H7Br2Cl/c13-10-6-2-1-4-8(10)9-5-3-7-11(15)12(9)14/h1-7H
InChIKeyHMDMWFYWAVRHPU-UHFFFAOYSA-N
MW346.45 g/mol
LogP5.53
Rot. Bonds1

About 2-bromo-1-(2-bromophenyl)-3-chlorobenzene

2-bromo-1-(2-bromophenyl)-3-chlorobenzene (PubChem CID 175669907) has the molecular formula C12H7Br2Cl and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-bromo-1-(2-bromophenyl)-3-chlorobenzene.

Molecular Properties

Compound Name2-bromo-1-(2-bromophenyl)-3-chlorobenzene
PubChem CID175669907
Molecular FormulaC12H7Br2Cl
Molecular Weight346.45 g/mol
Exact Mass343.86
IUPAC Name2-bromo-1-(2-bromophenyl)-3-chlorobenzene
SMILESClc1cccc(-c2ccccc2Br)c1Br
InChIInChI=1S/C12H7Br2Cl/c13-10-6-2-1-4-8(10)9-5-3-7-11(15)12(9)14/h1-7H
InChIKeyHMDMWFYWAVRHPU-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.45
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-bromophenyl)-3-chlorobenzene?
The IUPAC name of 2-bromo-1-(2-bromophenyl)-3-chlorobenzene (CID 175669907) is 2-bromo-1-(2-bromophenyl)-3-chlorobenzene.
What is the SMILES notation for 2-bromo-1-(2-bromophenyl)-3-chlorobenzene?
The canonical SMILES for 2-bromo-1-(2-bromophenyl)-3-chlorobenzene is Clc1cccc(-c2ccccc2Br)c1Br.
What is the InChIKey of 2-bromo-1-(2-bromophenyl)-3-chlorobenzene?
The InChIKey is HMDMWFYWAVRHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2Cl/c13-10-6-2-1-4-8(10)9-5-3-7-11(15)12(9)14/h1-7H.
What are the key properties of 2-bromo-1-(2-bromophenyl)-3-chlorobenzene?
2-bromo-1-(2-bromophenyl)-3-chlorobenzene has a molecular weight of 346.45 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-bromophenyl)-3-chlorobenzene is sourced from PubChem (CID 175669907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).