3-bromo-5-chlorobenzoyl chloride

C7H3BrCl2O — CID 50998129

IUPAC3-bromo-5-chlorobenzoyl chloride
SMILESO=C(Cl)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C7H3BrCl2O/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H
InChIKeyAFMZOCJLKKONRO-UHFFFAOYSA-N
MW253.91 g/mol
LogP3.48
Rot. Bonds1

About 3-bromo-5-chlorobenzoyl chloride

3-bromo-5-chlorobenzoyl chloride (PubChem CID 50998129) has the molecular formula C7H3BrCl2O and a molecular weight of 253.91 g/mol. Its IUPAC name is 3-bromo-5-chlorobenzoyl chloride.

Molecular Properties

Compound Name3-bromo-5-chlorobenzoyl chloride
PubChem CID50998129
Molecular FormulaC7H3BrCl2O
Molecular Weight253.91 g/mol
Exact Mass251.87
IUPAC Name3-bromo-5-chlorobenzoyl chloride
SMILESO=C(Cl)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C7H3BrCl2O/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H
InChIKeyAFMZOCJLKKONRO-UHFFFAOYSA-N
XLogP3.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.91
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-dione
CID 139745262
3-bromo-5-chlorobenzamide
CID 53417471
1-(3-bromo-5-chlorophenyl)-2-methylpropan-1-one
CID 103942633
1-(3-bromo-5-chlorophenyl)-3-methylbut-2-en-1-one
CID 107944599
3-(3-bromo-5-chlorophenyl)-3-oxopropanenitrile
CID 98041795
(3-bromo-5-chlorophenyl)-(3,5-dimethylcyclohexyl)methanone
CID 107944523
3-bromo-5-chloro-N-ethyl-N-methylbenzamide
CID 103826781
(3-bromo-5-chlorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone
CID 107950076
3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107951551
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
CID 107941216
3-bromo-5-chloro-N-cyclopropylbenzamide
CID 110406468
3-bromo-5-(2-chloropropanoyl)benzoyl chloride
CID 134625461

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chlorobenzoyl chloride?
The IUPAC name of 3-bromo-5-chlorobenzoyl chloride (CID 50998129) is 3-bromo-5-chlorobenzoyl chloride.
What is the SMILES notation for 3-bromo-5-chlorobenzoyl chloride?
The canonical SMILES for 3-bromo-5-chlorobenzoyl chloride is O=C(Cl)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chlorobenzoyl chloride?
The InChIKey is AFMZOCJLKKONRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrCl2O/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H.
What are the key properties of 3-bromo-5-chlorobenzoyl chloride?
3-bromo-5-chlorobenzoyl chloride has a molecular weight of 253.91 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chlorobenzoyl chloride is sourced from PubChem (CID 50998129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).