2-Chloro-6-methylbenzaldehyde

C₈H₇ClOCAS 1194-64-5154.59 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₈H₇ClO
Molar mass: 154.59 g/mol
Exact mass: 154.0185 Da
Boiling point: 74 °C (at 0.4 Torr)
logP: 2.46Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

1194-64-5

SMILES

Cc1cccc(Cl)c1C=O

InChIKey

CCYFXIJPJFSTSU-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO/c1-6-3-2-4-8(9)7(6)5-10/h2-5H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

Benzaldehyde, 2-chloro-6-methyl-
o-Tolualdehyde, 6-chloro-
6-Chloro-2-methylbenzaldehyde

Work with 2-Chloro-6-methylbenzaldehyde

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

2,6-Dimethylbenzaldehyde1123-56-472 % similar 2,6-Dichlorobenzaldehyde83-38-568 % similar 2-Fluoro-6-methylbenzaldehyde117752-04-258 % similar 2-Chloro-6-fluorobenzaldehyde387-45-155 % similar 2,3,6-Trichlorobenzaldehyde4659-47-650 % similar 2-Chloro-6-fluoro-3-methylbenzaldehyde104451-99-249 % similar 2,3-Dichlorotoluene32768-54-048 % similar 1-Chloro-2,3-dimethylbenzene608-23-148 % similar

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

Same formula

Phenylacetyl chloride103-80-0 3-Methylbenzoyl chloride1711-06-4 2′-Chloroacetophenone2142-68-9 4-Chlorostyrene oxide2788-86-5 Phenacyl chloride532-27-4 4-Methylbenzoyl chloride874-60-2 2-Methylbenzoyl chloride933-88-0 1-(3-Chlorophenyl)ethanone99-02-5

Elsewhere

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