3-Chloro-4-methylbenzaldehyde

C₈H₇ClOCAS 3411-03-8154.59 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
logP: 2.46Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

3411-03-8

SMILES

CC1=C(C=C(C=C1)C=O)Cl

InChIKey

OJFQNFVCICBYQC-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 3-Chloro-4-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

3,4-Dimethylbenzaldehyde5973-71-764 % similar 3,4-Dichlorobenzaldehyde6287-38-364 % similar 4-Bromo-3-chlorobenzaldehyde120077-69-256 % similar 3-Fluoro-4-methylbenzaldehyde177756-62-656 % similar 3-Chloro-4-hydroxybenzaldehyde2420-16-856 % similar 3-Chloro-4-fluorobenzaldehyde34328-61-556 % similar 3-Bromo-4-methyl benzaldehyde36276-24-156 % similar 3-Hydroxy-4-methylbenzaldehyde57295-30-456 % similar

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

Same formula

Phenylacetyl chloride103-80-0 2-Chloro-6-methylbenzaldehyde1194-64-5 3-Methylbenzoyl chloride1711-06-4 2′-Chloroacetophenone2142-68-9 4-Chlorostyrene oxide2788-86-5 4-Chloro-2-methylbenzaldehyde40137-29-9 Phenacyl chloride532-27-4 (R)-(+)-3-Chlorostyrene oxide62600-71-9

Elsewhere

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