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

C12H7Br2Cl — CID 67154117

IUPAC1-bromo-2-(2-bromophenyl)-3-chlorobenzene
SMILESClc1cccc(Br)c1-c1ccccc1Br
InChIInChI=1S/C12H7Br2Cl/c13-9-5-2-1-4-8(9)12-10(14)6-3-7-11(12)15/h1-7H
InChIKeyGXYWAYCDCQQYAT-UHFFFAOYSA-N
MW346.45 g/mol
LogP5.53
Rot. Bonds1

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

1-bromo-2-(2-bromophenyl)-3-chlorobenzene (PubChem CID 67154117) has the molecular formula C12H7Br2Cl and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-bromo-2-(2-bromophenyl)-3-chlorobenzene.

Molecular Properties

Compound Name1-bromo-2-(2-bromophenyl)-3-chlorobenzene
PubChem CID67154117
Molecular FormulaC12H7Br2Cl
Molecular Weight346.45 g/mol
Exact Mass343.86
IUPAC Name1-bromo-2-(2-bromophenyl)-3-chlorobenzene
SMILESClc1cccc(Br)c1-c1ccccc1Br
InChIInChI=1S/C12H7Br2Cl/c13-9-5-2-1-4-8(9)12-10(14)6-3-7-11(12)15/h1-7H
InChIKeyGXYWAYCDCQQYAT-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 1-bromo-2-(2-bromophenyl)-3-chlorobenzene?
The IUPAC name of 1-bromo-2-(2-bromophenyl)-3-chlorobenzene (CID 67154117) is 1-bromo-2-(2-bromophenyl)-3-chlorobenzene.
What is the SMILES notation for 1-bromo-2-(2-bromophenyl)-3-chlorobenzene?
The canonical SMILES for 1-bromo-2-(2-bromophenyl)-3-chlorobenzene is Clc1cccc(Br)c1-c1ccccc1Br.
What is the InChIKey of 1-bromo-2-(2-bromophenyl)-3-chlorobenzene?
The InChIKey is GXYWAYCDCQQYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2Cl/c13-9-5-2-1-4-8(9)12-10(14)6-3-7-11(12)15/h1-7H.
What are the key properties of 1-bromo-2-(2-bromophenyl)-3-chlorobenzene?
1-bromo-2-(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 1-bromo-2-(2-bromophenyl)-3-chlorobenzene is sourced from PubChem (CID 67154117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).