1-bromo-2-chloro-4-cyclopropylbenzene

C9H8BrCl — CID 66520823

IUPAC1-bromo-2-chloro-4-cyclopropylbenzene
SMILESClc1cc(C2CC2)ccc1Br
InChIInChI=1S/C9H8BrCl/c10-8-4-3-7(5-9(8)11)6-1-2-6/h3-6H,1-2H2
InChIKeyAHVYEOMHWKKXJH-UHFFFAOYSA-N
MW231.52 g/mol
LogP3.98
Rot. Bonds1

About 1-bromo-2-chloro-4-cyclopropylbenzene

1-bromo-2-chloro-4-cyclopropylbenzene (PubChem CID 66520823) has the molecular formula C9H8BrCl and a molecular weight of 231.52 g/mol. Its IUPAC name is 1-bromo-2-chloro-4-cyclopropylbenzene.

Molecular Properties

Compound Name1-bromo-2-chloro-4-cyclopropylbenzene
PubChem CID66520823
Molecular FormulaC9H8BrCl
Molecular Weight231.52 g/mol
Exact Mass229.95
IUPAC Name1-bromo-2-chloro-4-cyclopropylbenzene
SMILESClc1cc(C2CC2)ccc1Br
InChIInChI=1S/C9H8BrCl/c10-8-4-3-7(5-9(8)11)6-1-2-6/h3-6H,1-2H2
InChIKeyAHVYEOMHWKKXJH-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.52
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-2-chloro-4-cyclopropylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-4-cyclopropylbenzene?
The IUPAC name of 1-bromo-2-chloro-4-cyclopropylbenzene (CID 66520823) is 1-bromo-2-chloro-4-cyclopropylbenzene.
What is the SMILES notation for 1-bromo-2-chloro-4-cyclopropylbenzene?
The canonical SMILES for 1-bromo-2-chloro-4-cyclopropylbenzene is Clc1cc(C2CC2)ccc1Br.
What is the InChIKey of 1-bromo-2-chloro-4-cyclopropylbenzene?
The InChIKey is AHVYEOMHWKKXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrCl/c10-8-4-3-7(5-9(8)11)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 1-bromo-2-chloro-4-cyclopropylbenzene?
1-bromo-2-chloro-4-cyclopropylbenzene has a molecular weight of 231.52 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-4-cyclopropylbenzene is sourced from PubChem (CID 66520823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).