4-bromo-2-chloro-5-methylbenzoyl chloride

C8H5BrCl2O — CID 168975431

IUPAC4-bromo-2-chloro-5-methylbenzoyl chloride
SMILESCc1cc(C(=O)Cl)c(Cl)cc1Br
InChIInChI=1S/C8H5BrCl2O/c1-4-2-5(8(11)12)7(10)3-6(4)9/h2-3H,1H3
InChIKeyBLUUFEWAKJPGMW-UHFFFAOYSA-N
MW267.94 g/mol
LogP3.79
Rot. Bonds1

About 4-bromo-2-chloro-5-methylbenzoyl chloride

4-bromo-2-chloro-5-methylbenzoyl chloride (PubChem CID 168975431) has the molecular formula C8H5BrCl2O and a molecular weight of 267.94 g/mol. Its IUPAC name is 4-bromo-2-chloro-5-methylbenzoyl chloride.

Molecular Properties

Compound Name4-bromo-2-chloro-5-methylbenzoyl chloride
PubChem CID168975431
Molecular FormulaC8H5BrCl2O
Molecular Weight267.94 g/mol
Exact Mass265.89
IUPAC Name4-bromo-2-chloro-5-methylbenzoyl chloride
SMILESCc1cc(C(=O)Cl)c(Cl)cc1Br
InChIInChI=1S/C8H5BrCl2O/c1-4-2-5(8(11)12)7(10)3-6(4)9/h2-3H,1H3
InChIKeyBLUUFEWAKJPGMW-UHFFFAOYSA-N
XLogP3.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.94
LogP ≤ 53.79
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

4-bromo-5-chloro-2-methylbenzoyl chloride
CID 171032784
5-bromo-2-chloro-4-fluorobenzoyl chloride
CID 89086385
2-(4-bromo-2-chloro-5-methylphenyl)acetic acid
CID 121417177
2-bromo-4-fluoro-5-methylbenzoyl chloride
CID 171033249
5-bromo-3-chloro-2-methylbenzoyl chloride
CID 171032785
2-chloro-4-fluoro-5-methylbenzoic acid;2-chloro-4-fluoro-5-methylbenzoyl chloride;oxalyl dichloride
CID 160658516
5-chloro-2,4-dimethylbenzoyl chloride
CID 82633624
1-(2-bromo-4-chloro-5-methylphenyl)-2-chloroethanone
CID 83988426
5-bromo-2-chloro-3-methylbenzoyl chloride
CID 51000143
5-bromo-2-methyl-4-(trifluoromethyl)benzoyl chloride
CID 171009025
4-bromo-2,5-dimethylbenzoic acid;ethane
CID 143667305
(E)-3-(4-bromo-2-chloro-5-methylphenyl)-4-hydroxy-4-(1-methylcyclohexyl)but-3-en-2-one
CID 70308040

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-5-methylbenzoyl chloride?
The IUPAC name of 4-bromo-2-chloro-5-methylbenzoyl chloride (CID 168975431) is 4-bromo-2-chloro-5-methylbenzoyl chloride.
What is the SMILES notation for 4-bromo-2-chloro-5-methylbenzoyl chloride?
The canonical SMILES for 4-bromo-2-chloro-5-methylbenzoyl chloride is Cc1cc(C(=O)Cl)c(Cl)cc1Br.
What is the InChIKey of 4-bromo-2-chloro-5-methylbenzoyl chloride?
The InChIKey is BLUUFEWAKJPGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrCl2O/c1-4-2-5(8(11)12)7(10)3-6(4)9/h2-3H,1H3.
What are the key properties of 4-bromo-2-chloro-5-methylbenzoyl chloride?
4-bromo-2-chloro-5-methylbenzoyl chloride has a molecular weight of 267.94 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-5-methylbenzoyl chloride is sourced from PubChem (CID 168975431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).