chempirical

2,4-Dimethylbenzoyl chloride

C9H9ClOCAS 21900-42-5168.62 g/mol

Open in Covalent MOL file
OCl
Acyl halide

Properties

Molecular formula
C9H9ClO
Molar mass
168.62 g/mol
Exact mass
168.0342 Da
Boiling point
113 °C (at 15 Torr)
logP
2.68Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
21900-42-5
SMILES
Cc1ccc(C(=O)Cl)c(C)c1
InChIKey
JUOGRBULLOEKKQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3

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Names and synonyms

1 names
  • Benzoyl chloride, 2,4-dimethyl-

Work with 2,4-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2′,4′-Dimethylacetophenone89-74-759 % similar 2-Methylbenzoyl chloride933-88-058 % similar 2,4,6-Trimethylbenzoyl chloride938-18-158 % similar 2,4-Dimethylbenzoic acid611-01-858 % similar 2,4-Dimethylbenzophenone1140-14-353 % similar 4-Methylbenzoyl chloride874-60-252 % similar 3-Methylbenzoyl chloride1711-06-450 % similar 3,5-Dimethylbenzoyl chloride6613-44-147 % 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 3,4-Dimethylbenzoyl chloride21900-23-2 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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