1-bromo-3-chloro-5-phenylbenzene

C12H8BrCl — CID 14452541

IUPAC1-bromo-3-chloro-5-phenylbenzene
SMILESClc1cc(Br)cc(-c2ccccc2)c1
InChIInChI=1S/C12H8BrCl/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8H
InChIKeySJLJTKRBBCLGPR-UHFFFAOYSA-N
MW267.55 g/mol
LogP4.77
Rot. Bonds1

About 1-bromo-3-chloro-5-phenylbenzene

1-bromo-3-chloro-5-phenylbenzene (PubChem CID 14452541) has the molecular formula C12H8BrCl and a molecular weight of 267.55 g/mol. Its IUPAC name is 1-bromo-3-chloro-5-phenylbenzene.

Molecular Properties

Compound Name1-bromo-3-chloro-5-phenylbenzene
PubChem CID14452541
Molecular FormulaC12H8BrCl
Molecular Weight267.55 g/mol
Exact Mass265.95
IUPAC Name1-bromo-3-chloro-5-phenylbenzene
SMILESClc1cc(Br)cc(-c2ccccc2)c1
InChIInChI=1S/C12H8BrCl/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8H
InChIKeySJLJTKRBBCLGPR-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.55
LogP ≤ 54.77
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-5-phenylbenzene?
The IUPAC name of 1-bromo-3-chloro-5-phenylbenzene (CID 14452541) is 1-bromo-3-chloro-5-phenylbenzene.
What is the SMILES notation for 1-bromo-3-chloro-5-phenylbenzene?
The canonical SMILES for 1-bromo-3-chloro-5-phenylbenzene is Clc1cc(Br)cc(-c2ccccc2)c1.
What is the InChIKey of 1-bromo-3-chloro-5-phenylbenzene?
The InChIKey is SJLJTKRBBCLGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 1-bromo-3-chloro-5-phenylbenzene?
1-bromo-3-chloro-5-phenylbenzene has a molecular weight of 267.55 g/mol, XLogP of 4.77, 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-5-phenylbenzene is sourced from PubChem (CID 14452541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).