2-bromo-1-(2-bromophenyl)-4-chlorobenzene

C12H7Br2Cl — CID 118359345

IUPAC2-bromo-1-(2-bromophenyl)-4-chlorobenzene
SMILESClc1ccc(-c2ccccc2Br)c(Br)c1
InChIInChI=1S/C12H7Br2Cl/c13-11-4-2-1-3-9(11)10-6-5-8(15)7-12(10)14/h1-7H
InChIKeyPNPXMLXCNMBCHQ-UHFFFAOYSA-N
MW346.45 g/mol
LogP5.53
Rot. Bonds1

About 2-bromo-1-(2-bromophenyl)-4-chlorobenzene

2-bromo-1-(2-bromophenyl)-4-chlorobenzene (PubChem CID 118359345) has the molecular formula C12H7Br2Cl and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-bromo-1-(2-bromophenyl)-4-chlorobenzene.

Molecular Properties

Compound Name2-bromo-1-(2-bromophenyl)-4-chlorobenzene
PubChem CID118359345
Molecular FormulaC12H7Br2Cl
Molecular Weight346.45 g/mol
Exact Mass343.86
IUPAC Name2-bromo-1-(2-bromophenyl)-4-chlorobenzene
SMILESClc1ccc(-c2ccccc2Br)c(Br)c1
InChIInChI=1S/C12H7Br2Cl/c13-11-4-2-1-3-9(11)10-6-5-8(15)7-12(10)14/h1-7H
InChIKeyPNPXMLXCNMBCHQ-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)-4-chlorobenzene?
The IUPAC name of 2-bromo-1-(2-bromophenyl)-4-chlorobenzene (CID 118359345) is 2-bromo-1-(2-bromophenyl)-4-chlorobenzene.
What is the SMILES notation for 2-bromo-1-(2-bromophenyl)-4-chlorobenzene?
The canonical SMILES for 2-bromo-1-(2-bromophenyl)-4-chlorobenzene is Clc1ccc(-c2ccccc2Br)c(Br)c1.
What is the InChIKey of 2-bromo-1-(2-bromophenyl)-4-chlorobenzene?
The InChIKey is PNPXMLXCNMBCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2Cl/c13-11-4-2-1-3-9(11)10-6-5-8(15)7-12(10)14/h1-7H.
What are the key properties of 2-bromo-1-(2-bromophenyl)-4-chlorobenzene?
2-bromo-1-(2-bromophenyl)-4-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)-4-chlorobenzene is sourced from PubChem (CID 118359345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).