4-bromo-3-chlorobenzoyl chloride

C7H3BrCl2O — CID 19754905

IUPAC4-bromo-3-chlorobenzoyl chloride
SMILESO=C(Cl)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C7H3BrCl2O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H
InChIKeyOEFADALRZHTONM-UHFFFAOYSA-N
MW253.91 g/mol
LogP3.48
Rot. Bonds1

About 4-bromo-3-chlorobenzoyl chloride

4-bromo-3-chlorobenzoyl chloride (PubChem CID 19754905) has the molecular formula C7H3BrCl2O and a molecular weight of 253.91 g/mol. Its IUPAC name is 4-bromo-3-chlorobenzoyl chloride.

Molecular Properties

Compound Name4-bromo-3-chlorobenzoyl chloride
PubChem CID19754905
Molecular FormulaC7H3BrCl2O
Molecular Weight253.91 g/mol
Exact Mass251.87
IUPAC Name4-bromo-3-chlorobenzoyl chloride
SMILESO=C(Cl)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C7H3BrCl2O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H
InChIKeyOEFADALRZHTONM-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chlorobenzoyl chloride?
The IUPAC name of 4-bromo-3-chlorobenzoyl chloride (CID 19754905) is 4-bromo-3-chlorobenzoyl chloride.
What is the SMILES notation for 4-bromo-3-chlorobenzoyl chloride?
The canonical SMILES for 4-bromo-3-chlorobenzoyl chloride is O=C(Cl)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chlorobenzoyl chloride?
The InChIKey is OEFADALRZHTONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrCl2O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H.
What are the key properties of 4-bromo-3-chlorobenzoyl chloride?
4-bromo-3-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 4-bromo-3-chlorobenzoyl chloride is sourced from PubChem (CID 19754905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).