4-bromo-2-chloro-1-phenylbenzene

C12H8BrCl — CID 13457416

IUPAC4-bromo-2-chloro-1-phenylbenzene
SMILESClc1cc(Br)ccc1-c1ccccc1
InChIInChI=1S/C12H8BrCl/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H
InChIKeyNLESZJUUVXZAAH-UHFFFAOYSA-N
MW267.55 g/mol
LogP4.77
Rot. Bonds1

About 4-bromo-2-chloro-1-phenylbenzene

4-bromo-2-chloro-1-phenylbenzene (PubChem CID 13457416) has the molecular formula C12H8BrCl and a molecular weight of 267.55 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-phenylbenzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-phenylbenzene
PubChem CID13457416
Molecular FormulaC12H8BrCl
Molecular Weight267.55 g/mol
Exact Mass265.95
IUPAC Name4-bromo-2-chloro-1-phenylbenzene
SMILESClc1cc(Br)ccc1-c1ccccc1
InChIInChI=1S/C12H8BrCl/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H
InChIKeyNLESZJUUVXZAAH-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 4-bromo-2-chloro-1-phenylbenzene?
The IUPAC name of 4-bromo-2-chloro-1-phenylbenzene (CID 13457416) is 4-bromo-2-chloro-1-phenylbenzene.
What is the SMILES notation for 4-bromo-2-chloro-1-phenylbenzene?
The canonical SMILES for 4-bromo-2-chloro-1-phenylbenzene is Clc1cc(Br)ccc1-c1ccccc1.
What is the InChIKey of 4-bromo-2-chloro-1-phenylbenzene?
The InChIKey is NLESZJUUVXZAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 4-bromo-2-chloro-1-phenylbenzene?
4-bromo-2-chloro-1-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 4-bromo-2-chloro-1-phenylbenzene is sourced from PubChem (CID 13457416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).