1-(2-bromo-4-chlorophenyl)-2-chloroethanone

C8H5BrCl2O — CID 103693977

IUPAC1-(2-bromo-4-chlorophenyl)-2-chloroethanone
SMILESO=C(CCl)c1ccc(Cl)cc1Br
InChIInChI=1S/C8H5BrCl2O/c9-7-3-5(11)1-2-6(7)8(12)4-10/h1-3H,4H2
InChIKeyZCKKVCKLXYFRCP-UHFFFAOYSA-N
MW267.94 g/mol
LogP3.52
Rot. Bonds2

About 1-(2-bromo-4-chlorophenyl)-2-chloroethanone

1-(2-bromo-4-chlorophenyl)-2-chloroethanone (PubChem CID 103693977) has the molecular formula C8H5BrCl2O and a molecular weight of 267.94 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-2-chloroethanone.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-2-chloroethanone
PubChem CID103693977
Molecular FormulaC8H5BrCl2O
Molecular Weight267.94 g/mol
Exact Mass265.89
IUPAC Name1-(2-bromo-4-chlorophenyl)-2-chloroethanone
SMILESO=C(CCl)c1ccc(Cl)cc1Br
InChIInChI=1S/C8H5BrCl2O/c9-7-3-5(11)1-2-6(7)8(12)4-10/h1-3H,4H2
InChIKeyZCKKVCKLXYFRCP-UHFFFAOYSA-N
XLogP3.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.94
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(2-bromo-4-chlorophenyl)-2-chloroethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-bromo-4-chlorophenyl)-2-hydroxyethanone
CID 157216536
2-chloro-1-(4-chloro-2-fluorophenyl)ethanone
CID 45081012
1-(2-bromo-4-chlorophenyl)-3-methylsulfanylpropan-1-one
CID 107988698
1-(2-bromo-4-chlorophenyl)-4-methylpent-4-en-1-one
CID 107996687
1-(2-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone
CID 107988680
1-(2-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanone
CID 114024595
1-(2-bromo-4-chlorophenyl)-5-methylhexan-1-one
CID 107996604
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 114025529
1-(2-bromo-4-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone
CID 107987148
2-bromo-4-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)benzamide
CID 107994107
1-(5-bromo-2-chlorophenyl)-2-chloroethanone
CID 79018243
[5-chloro-2-(2-chloroacetyl)phenyl] acetate
CID 87995855

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-chloroethanone?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-chloroethanone (CID 103693977) is 1-(2-bromo-4-chlorophenyl)-2-chloroethanone.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-2-chloroethanone?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-2-chloroethanone is O=C(CCl)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-2-chloroethanone?
The InChIKey is ZCKKVCKLXYFRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrCl2O/c9-7-3-5(11)1-2-6(7)8(12)4-10/h1-3H,4H2.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-2-chloroethanone?
1-(2-bromo-4-chlorophenyl)-2-chloroethanone has a molecular weight of 267.94 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-2-chloroethanone is sourced from PubChem (CID 103693977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).