5-bromo-3-chloro-2-methylbenzoyl chloride

C8H5BrCl2O — CID 171032785

IUPAC5-bromo-3-chloro-2-methylbenzoyl chloride
SMILESCc1c(Cl)cc(Br)cc1C(=O)Cl
InChIInChI=1S/C8H5BrCl2O/c1-4-6(8(11)12)2-5(9)3-7(4)10/h2-3H,1H3
InChIKeyMCMZZCBJSNEOJJ-UHFFFAOYSA-N
MW267.94 g/mol
LogP3.79
Rot. Bonds1

About 5-bromo-3-chloro-2-methylbenzoyl chloride

5-bromo-3-chloro-2-methylbenzoyl chloride (PubChem CID 171032785) has the molecular formula C8H5BrCl2O and a molecular weight of 267.94 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-methylbenzoyl chloride.

Molecular Properties

Compound Name5-bromo-3-chloro-2-methylbenzoyl chloride
PubChem CID171032785
Molecular FormulaC8H5BrCl2O
Molecular Weight267.94 g/mol
Exact Mass265.89
IUPAC Name5-bromo-3-chloro-2-methylbenzoyl chloride
SMILESCc1c(Cl)cc(Br)cc1C(=O)Cl
InChIInChI=1S/C8H5BrCl2O/c1-4-6(8(11)12)2-5(9)3-7(4)10/h2-3H,1H3
InChIKeyMCMZZCBJSNEOJJ-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

3,5-dibromo-2-methylbenzoyl chloride
CID 171002957
5-bromo-2,3-dichlorobenzoyl chloride
CID 171032872
5-bromo-2-chloro-3-methylbenzoyl chloride
CID 51000143
5-bromo-3-chloro-2-(trifluoromethoxy)benzoyl chloride
CID 151998329
bis(3-chloro-2,5-dimethylphenyl)methanone
CID 139698512
4-bromo-5-chloro-2-methylbenzoyl chloride
CID 171032784
4-bromo-2-chloro-5-methylbenzoyl chloride
CID 168975431
ethyl 2,5-dibromo-3-chlorobenzoate
CID 114374037
4-bromobenzene-1,2-dicarbonyl chloride
CID 14784692
5-bromo-3-carbonochloridoyl-2-fluorobenzoic acid
CID 144713812
3-chloro-2,5-dimethylbenzamide
CID 171008035
3-bromo-5-chlorosulfonyl-2-methylbenzoyl chloride
CID 116739996

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-methylbenzoyl chloride?
The IUPAC name of 5-bromo-3-chloro-2-methylbenzoyl chloride (CID 171032785) is 5-bromo-3-chloro-2-methylbenzoyl chloride.
What is the SMILES notation for 5-bromo-3-chloro-2-methylbenzoyl chloride?
The canonical SMILES for 5-bromo-3-chloro-2-methylbenzoyl chloride is Cc1c(Cl)cc(Br)cc1C(=O)Cl.
What is the InChIKey of 5-bromo-3-chloro-2-methylbenzoyl chloride?
The InChIKey is MCMZZCBJSNEOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrCl2O/c1-4-6(8(11)12)2-5(9)3-7(4)10/h2-3H,1H3.
What are the key properties of 5-bromo-3-chloro-2-methylbenzoyl chloride?
5-bromo-3-chloro-2-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 5-bromo-3-chloro-2-methylbenzoyl chloride is sourced from PubChem (CID 171032785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).