2-bromo-4-(3-chloropropanoyl)benzoyl chloride

C10H7BrCl2O2 — CID 134619224

IUPAC2-bromo-4-(3-chloropropanoyl)benzoyl chloride
SMILESO=C(CCCl)c1ccc(C(=O)Cl)c(Br)c1
InChIInChI=1S/C10H7BrCl2O2/c11-8-5-6(9(14)3-4-12)1-2-7(8)10(13)15/h1-2,5H,3-4H2
InChIKeyAZCCZYCKGIQVAU-UHFFFAOYSA-N
MW309.97 g/mol
LogP3.64
Rot. Bonds4

About 2-bromo-4-(3-chloropropanoyl)benzoyl chloride

2-bromo-4-(3-chloropropanoyl)benzoyl chloride (PubChem CID 134619224) has the molecular formula C10H7BrCl2O2 and a molecular weight of 309.97 g/mol. Its IUPAC name is 2-bromo-4-(3-chloropropanoyl)benzoyl chloride.

Molecular Properties

Compound Name2-bromo-4-(3-chloropropanoyl)benzoyl chloride
PubChem CID134619224
Molecular FormulaC10H7BrCl2O2
Molecular Weight309.97 g/mol
Exact Mass307.90
IUPAC Name2-bromo-4-(3-chloropropanoyl)benzoyl chloride
SMILESO=C(CCCl)c1ccc(C(=O)Cl)c(Br)c1
InChIInChI=1S/C10H7BrCl2O2/c11-8-5-6(9(14)3-4-12)1-2-7(8)10(13)15/h1-2,5H,3-4H2
InChIKeyAZCCZYCKGIQVAU-UHFFFAOYSA-N
XLogP3.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.97
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-4-(3-chloropropanoyl)benzoyl chloride 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

2-bromobenzene-1,4-dicarbonyl chloride
CID 13431541
1-(3-bromo-4-chlorophenyl)-3-chloropropan-1-one
CID 82124279
1-(3-bromo-4-fluorophenyl)-3-chloropropan-1-one
CID 82122677
1-(7-bromonaphthalen-2-yl)-3-chloropropan-1-one
CID 14452955
1-(4-bromo-3-methoxyphenyl)-3-chloropropan-1-one
CID 118830209
1-[3-bromo-4-(trifluoromethylsulfanyl)phenyl]-3-chloropropan-1-one
CID 134615533
1-(4-bromo-3-ethoxyphenyl)-3-chloropropan-1-one
CID 118819069
1-(2-bromo-4-ethylphenyl)-3-chloropropan-1-one
CID 118846965
1-(4-benzoyl-3-bromophenyl)-2-chloroethanone
CID 174402771
methyl 4-(3-chloropropanoyl)-2-methylbenzoate
CID 134613630
1-[2-bromo-4-(difluoromethyl)phenyl]-3-chloropropan-1-one
CID 119016324
methyl 2-bromo-4-(3-bromopropanoyl)benzoate
CID 134648648

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3-chloropropanoyl)benzoyl chloride?
The IUPAC name of 2-bromo-4-(3-chloropropanoyl)benzoyl chloride (CID 134619224) is 2-bromo-4-(3-chloropropanoyl)benzoyl chloride.
What is the SMILES notation for 2-bromo-4-(3-chloropropanoyl)benzoyl chloride?
The canonical SMILES for 2-bromo-4-(3-chloropropanoyl)benzoyl chloride is O=C(CCCl)c1ccc(C(=O)Cl)c(Br)c1.
What is the InChIKey of 2-bromo-4-(3-chloropropanoyl)benzoyl chloride?
The InChIKey is AZCCZYCKGIQVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrCl2O2/c11-8-5-6(9(14)3-4-12)1-2-7(8)10(13)15/h1-2,5H,3-4H2.
What are the key properties of 2-bromo-4-(3-chloropropanoyl)benzoyl chloride?
2-bromo-4-(3-chloropropanoyl)benzoyl chloride has a molecular weight of 309.97 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3-chloropropanoyl)benzoyl chloride is sourced from PubChem (CID 134619224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).