2-chloro-1-(2,5-dibromophenyl)propan-1-one

C9H7Br2ClO — CID 82050202

IUPAC2-chloro-1-(2,5-dibromophenyl)propan-1-one
SMILESCC(Cl)C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C9H7Br2ClO/c1-5(12)9(13)7-4-6(10)2-3-8(7)11/h2-5H,1H3
InChIKeyIIGBZUOWVVWYAR-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.02
Rot. Bonds2

About 2-chloro-1-(2,5-dibromophenyl)propan-1-one

2-chloro-1-(2,5-dibromophenyl)propan-1-one (PubChem CID 82050202) has the molecular formula C9H7Br2ClO and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-chloro-1-(2,5-dibromophenyl)propan-1-one.

Molecular Properties

Compound Name2-chloro-1-(2,5-dibromophenyl)propan-1-one
PubChem CID82050202
Molecular FormulaC9H7Br2ClO
Molecular Weight326.42 g/mol
Exact Mass323.86
IUPAC Name2-chloro-1-(2,5-dibromophenyl)propan-1-one
SMILESCC(Cl)C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C9H7Br2ClO/c1-5(12)9(13)7-4-6(10)2-3-8(7)11/h2-5H,1H3
InChIKeyIIGBZUOWVVWYAR-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
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

methyl 4-bromo-2-(2-chloropropanoyl)benzoate
CID 134648660
2-[5-bromo-2-(2-chloropropanoyl)phenyl]acetic acid
CID 134629317
2-chloro-1-(2,5-dibromo-4-methylphenyl)propan-1-one
CID 81468478
2,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 114372008
1-[1-(4-bromo-2-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-chloropropan-1-one
CID 81289143
2-amino-1-(5-bromo-2-chlorophenyl)propan-1-one
CID 84710830
2-(3-aminophenoxy)-1-(2,5-dibromophenyl)propan-1-one
CID 46307593
2-chloro-1-[2,5-dimethyl-1-(2,4,6-tribromophenyl)pyrrol-3-yl]propan-1-one
CID 43328380
2,5-dibromo-N-(2-chlorobutyl)benzamide
CID 114375877
1-[1-(2-bromo-5-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-chloropropan-1-one
CID 107629390
ethyl 2-[(2,5-dibromobenzoyl)amino]propanoate
CID 114372027
2-(4-chlorophenyl)-3-(2,5-dibromophenyl)-3-oxopropanenitrile
CID 114373083

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2,5-dibromophenyl)propan-1-one?
The IUPAC name of 2-chloro-1-(2,5-dibromophenyl)propan-1-one (CID 82050202) is 2-chloro-1-(2,5-dibromophenyl)propan-1-one.
What is the SMILES notation for 2-chloro-1-(2,5-dibromophenyl)propan-1-one?
The canonical SMILES for 2-chloro-1-(2,5-dibromophenyl)propan-1-one is CC(Cl)C(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2-chloro-1-(2,5-dibromophenyl)propan-1-one?
The InChIKey is IIGBZUOWVVWYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2ClO/c1-5(12)9(13)7-4-6(10)2-3-8(7)11/h2-5H,1H3.
What are the key properties of 2-chloro-1-(2,5-dibromophenyl)propan-1-one?
2-chloro-1-(2,5-dibromophenyl)propan-1-one has a molecular weight of 326.42 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2,5-dibromophenyl)propan-1-one is sourced from PubChem (CID 82050202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).