2-bromo-1-(2,3-dichloro-6-methylphenyl)ethanone

C9H7BrCl2O — CID 130822903

IUPAC2-bromo-1-(2,3-dichloro-6-methylphenyl)ethanone
SMILESCc1ccc(Cl)c(Cl)c1C(=O)CBr
InChIInChI=1S/C9H7BrCl2O/c1-5-2-3-6(11)9(12)8(5)7(13)4-10/h2-3H,4H2,1H3
InChIKeySAACAMAHHSPXCN-UHFFFAOYSA-N
MW281.96 g/mol
LogP3.88
Rot. Bonds2

About 2-bromo-1-(2,3-dichloro-6-methylphenyl)ethanone

2-bromo-1-(2,3-dichloro-6-methylphenyl)ethanone (PubChem CID 130822903) has the molecular formula C9H7BrCl2O and a molecular weight of 281.96 g/mol. Its IUPAC name is 2-bromo-1-(2,3-dichloro-6-methylphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2,3-dichloro-6-methylphenyl)ethanone
PubChem CID130822903
Molecular FormulaC9H7BrCl2O
Molecular Weight281.96 g/mol
Exact Mass279.91
IUPAC Name2-bromo-1-(2,3-dichloro-6-methylphenyl)ethanone
SMILESCc1ccc(Cl)c(Cl)c1C(=O)CBr
InChIInChI=1S/C9H7BrCl2O/c1-5-2-3-6(11)9(12)8(5)7(13)4-10/h2-3H,4H2,1H3
InChIKeySAACAMAHHSPXCN-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.96
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(2,3,6-trichlorophenyl)ethanone
CID 82629678
2-bromo-1-(2,3-dichloro-6-iodophenyl)ethanone
CID 171006521
2-bromo-1-(6-bromo-2-chloro-3-methylphenyl)ethanone
CID 171032827
1-(6-amino-2-chloro-3-methylphenyl)-2-bromoethanone
CID 171022483
2-bromo-1-(2,6-dimethylphenyl)ethanone
CID 14972767
2-bromo-1-(3-bromo-6-chloro-2-methylphenyl)ethanone
CID 171032819
2-chloro-1-(2-chloro-3,6-dimethylphenyl)ethanone
CID 171008689
2-bromo-1-(2,3-diamino-6-methylphenyl)ethanone
CID 171013874
2-bromo-1-(2-bromo-3-chloro-6-fluorophenyl)ethanone
CID 122235406
2-bromo-1-(3,4-dichloro-2-hydroxyphenyl)ethanone
CID 54857524
2-bromo-1-(2-bromo-3,4-dichlorophenyl)ethanone
CID 171004805
2-bromo-1-(2-chloro-4-iodo-6-methylphenyl)ethanone
CID 171004392

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2,3-dichloro-6-methylphenyl)ethanone?
The IUPAC name of 2-bromo-1-(2,3-dichloro-6-methylphenyl)ethanone (CID 130822903) is 2-bromo-1-(2,3-dichloro-6-methylphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(2,3-dichloro-6-methylphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(2,3-dichloro-6-methylphenyl)ethanone is Cc1ccc(Cl)c(Cl)c1C(=O)CBr.
What is the InChIKey of 2-bromo-1-(2,3-dichloro-6-methylphenyl)ethanone?
The InChIKey is SAACAMAHHSPXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrCl2O/c1-5-2-3-6(11)9(12)8(5)7(13)4-10/h2-3H,4H2,1H3.
What are the key properties of 2-bromo-1-(2,3-dichloro-6-methylphenyl)ethanone?
2-bromo-1-(2,3-dichloro-6-methylphenyl)ethanone has a molecular weight of 281.96 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2,3-dichloro-6-methylphenyl)ethanone is sourced from PubChem (CID 130822903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).