3,4-Dimethylbenzoyl chloride

C₉H₉ClOCAS 21900-23-2168.62 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₉ClO
Molar mass: 168.62 g/mol
Exact mass: 168.0342 Da
Boiling point: 185 °C
logP: 2.68Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

21900-23-2

SMILES

Cc1ccc(C(=O)Cl)cc1C

InChIKey

RGAKSNQOIIYQRM-UHFFFAOYSA-N

InChI

InChI=1S/C9H9ClO/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3

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Names and synonyms

1 names

Benzoyl chloride, 3,4-dimethyl-

Work with 3,4-Dimethylbenzoyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Methyl-3-nitrobenzoyl chloride10397-30-558 % similar 3,4-Dimethylacetophenone3637-01-257 % similar 3,4-Dimethylbenzamide5580-33-657 % similar Terephthaloyl chloride100-20-956 % similar 4-Methylbenzoyl chloride874-60-255 % similar 3,4-Dimethylbenzoic acid619-04-555 % similar Isophthaloyl chloride99-63-854 % similar 3-Methylbenzoyl chloride1711-06-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Allyl-4-chlorophenol13997-73-4 4-Ethylbenzoyl chloride16331-45-6 2,4-Dimethylbenzoyl chloride21900-42-5 1-(3-Chlorophenyl)-1-propanone34841-35-5 1-(4-Chloro-3-methylphenyl)ethanone37074-39-8 2-Chloro-1-(4-methylphenyl)ethanone4209-24-9 (4-Chlorophenyl)acetone5586-88-9 2-Chloro-1-phenyl-1-propanone6084-17-9

Elsewhere

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