2,3-dibromo-3-(2-chlorophenyl)propanoyl chloride

C9H6Br2Cl2O — CID 22119015

IUPAC2,3-dibromo-3-(2-chlorophenyl)propanoyl chloride
SMILESO=C(Cl)C(Br)C(Br)c1ccccc1Cl
InChIInChI=1S/C9H6Br2Cl2O/c10-7(8(11)9(13)14)5-3-1-2-4-6(5)12/h1-4,7-8H
InChIKeyXQMMISAHHXNPAN-UHFFFAOYSA-N
MW360.86 g/mol
LogP4.30
Rot. Bonds3

About 2,3-dibromo-3-(2-chlorophenyl)propanoyl chloride

2,3-dibromo-3-(2-chlorophenyl)propanoyl chloride (PubChem CID 22119015) has the molecular formula C9H6Br2Cl2O and a molecular weight of 360.86 g/mol. Its IUPAC name is 2,3-dibromo-3-(2-chlorophenyl)propanoyl chloride.

Molecular Properties

Compound Name2,3-dibromo-3-(2-chlorophenyl)propanoyl chloride
PubChem CID22119015
Molecular FormulaC9H6Br2Cl2O
Molecular Weight360.86 g/mol
Exact Mass357.82
IUPAC Name2,3-dibromo-3-(2-chlorophenyl)propanoyl chloride
SMILESO=C(Cl)C(Br)C(Br)c1ccccc1Cl
InChIInChI=1S/C9H6Br2Cl2O/c10-7(8(11)9(13)14)5-3-1-2-4-6(5)12/h1-4,7-8H
InChIKeyXQMMISAHHXNPAN-UHFFFAOYSA-N
XLogP4.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dichloro-1,3-bis(2-chlorophenyl)propan-2-one
CID 172741718
2-bromo-2-(2-chlorophenyl)-1-cyclopropylethanone
CID 15289936
1-[1,2-dibromo-2-(2-chlorophenyl)ethyl]-2-nitrobenzene
CID 19937623
3-bromo-4-(2-bromo-3-chlorophenyl)pentan-2-one
CID 103481508
(2R)-2-(2-chlorophenyl)-2-methoxyacetic acid
CID 91331586
1-(2-chlorophenyl)-1-fluoropropan-2-one
CID 105442385
2-(2-chlorophenyl)-2-hydroxyacetic acid;copper
CID 174872808
(2R)-2-(2-chlorophenyl)-2-hydroxyacetate
CID 6922876
sodium (2R)-2-(2-chlorophenyl)-2-hydroxyacetate
CID 141394599
2-(2-chlorophenyl)-2-fluoroacetamide
CID 115017416
2-bromo-2-(2-methylphenyl)acetyl chloride
CID 130740286
(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 11975499

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-3-(2-chlorophenyl)propanoyl chloride?
The IUPAC name of 2,3-dibromo-3-(2-chlorophenyl)propanoyl chloride (CID 22119015) is 2,3-dibromo-3-(2-chlorophenyl)propanoyl chloride.
What is the SMILES notation for 2,3-dibromo-3-(2-chlorophenyl)propanoyl chloride?
The canonical SMILES for 2,3-dibromo-3-(2-chlorophenyl)propanoyl chloride is O=C(Cl)C(Br)C(Br)c1ccccc1Cl.
What is the InChIKey of 2,3-dibromo-3-(2-chlorophenyl)propanoyl chloride?
The InChIKey is XQMMISAHHXNPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2Cl2O/c10-7(8(11)9(13)14)5-3-1-2-4-6(5)12/h1-4,7-8H.
What are the key properties of 2,3-dibromo-3-(2-chlorophenyl)propanoyl chloride?
2,3-dibromo-3-(2-chlorophenyl)propanoyl chloride has a molecular weight of 360.86 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-3-(2-chlorophenyl)propanoyl chloride is sourced from PubChem (CID 22119015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).