2-bromo-1-(3-bromo-6-chloro-2-methylphenyl)ethanone

C9H7Br2ClO — CID 171032819

IUPAC2-bromo-1-(3-bromo-6-chloro-2-methylphenyl)ethanone
SMILESCc1c(Br)ccc(Cl)c1C(=O)CBr
InChIInChI=1S/C9H7Br2ClO/c1-5-6(11)2-3-7(12)9(5)8(13)4-10/h2-3H,4H2,1H3
InChIKeyOSELESLWNWZNTC-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.99
Rot. Bonds2

About 2-bromo-1-(3-bromo-6-chloro-2-methylphenyl)ethanone

2-bromo-1-(3-bromo-6-chloro-2-methylphenyl)ethanone (PubChem CID 171032819) has the molecular formula C9H7Br2ClO and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-bromo-1-(3-bromo-6-chloro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(3-bromo-6-chloro-2-methylphenyl)ethanone
PubChem CID171032819
Molecular FormulaC9H7Br2ClO
Molecular Weight326.42 g/mol
Exact Mass323.86
IUPAC Name2-bromo-1-(3-bromo-6-chloro-2-methylphenyl)ethanone
SMILESCc1c(Br)ccc(Cl)c1C(=O)CBr
InChIInChI=1S/C9H7Br2ClO/c1-5-6(11)2-3-7(12)9(5)8(13)4-10/h2-3H,4H2,1H3
InChIKeyOSELESLWNWZNTC-UHFFFAOYSA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.99
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

1-(2-amino-6-bromo-3-chlorophenyl)-2-bromoethanone
CID 171012100
2-bromo-1-(6-bromo-2-chloro-3-methylphenyl)ethanone
CID 171032827
2-bromo-1-(2,3,6-trichlorophenyl)ethanone
CID 82629678
2-bromo-1-(2,3-dichloro-6-methylphenyl)ethanone
CID 130822903
1-(3-amino-2-bromo-6-chlorophenyl)-2-bromoethanone
CID 171012372
(3-bromo-6-chloro-2-methylphenyl)methanol
CID 131627541
2-bromo-1-(2,3-dichloro-6-iodophenyl)ethanone
CID 171006521
2-bromo-1-(2-bromo-3-chloro-6-fluorophenyl)ethanone
CID 122235406
2-bromo-1-(2-bromo-4,6-dichlorophenyl)ethanone
CID 171032915
2-bromo-1-(3-chloro-2-fluoro-6-methoxyphenyl)ethanone
CID 171007152
1-(2-amino-3-bromo-6-chlorophenyl)-2-chloroethanone
CID 171011539
2-bromo-1-(2,6-dimethylphenyl)ethanone
CID 14972767

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-bromo-6-chloro-2-methylphenyl)ethanone?
The IUPAC name of 2-bromo-1-(3-bromo-6-chloro-2-methylphenyl)ethanone (CID 171032819) is 2-bromo-1-(3-bromo-6-chloro-2-methylphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(3-bromo-6-chloro-2-methylphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(3-bromo-6-chloro-2-methylphenyl)ethanone is Cc1c(Br)ccc(Cl)c1C(=O)CBr.
What is the InChIKey of 2-bromo-1-(3-bromo-6-chloro-2-methylphenyl)ethanone?
The InChIKey is OSELESLWNWZNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2ClO/c1-5-6(11)2-3-7(12)9(5)8(13)4-10/h2-3H,4H2,1H3.
What are the key properties of 2-bromo-1-(3-bromo-6-chloro-2-methylphenyl)ethanone?
2-bromo-1-(3-bromo-6-chloro-2-methylphenyl)ethanone has a molecular weight of 326.42 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3-bromo-6-chloro-2-methylphenyl)ethanone is sourced from PubChem (CID 171032819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).