3-Chloro-4-methoxybenzaldehyde

C₈H₇ClO₂CAS 4903-09-7170.59 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₈H₇ClO₂
Molar mass: 170.59 g/mol
Exact mass: 170.0135 Da
Melting point: 53 °C
Boiling point: 128 °C (at 5 Torr)
logP: 2.16Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

4903-09-7

SMILES

COc1ccc(C=O)cc1Cl

InChIKey

WYVGYYIZXPXHAZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3

Weigh it out

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

Names and synonyms

4 names

Benzaldehyde, 3-chloro-4-methoxy-
p-Anisaldehyde, 3-chloro-
4-Methoxy-3-chlorobenzaldehyde
3-Chloro-p-anisaldehyde

Work with 3-Chloro-4-methoxybenzaldehyde

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

4-Methoxy-3-methylbenzaldehyde32723-67-462 % similar 3-Iodo-4-methoxybenzaldehyde2314-37-660 % similar 3-Bromo-4-methoxybenzaldehyde34841-06-060 % similar 3-Fluoro-4-methoxybenzaldehyde351-54-260 % similar Isovanillin621-59-060 % similar 3-Chloro-4-hydroxy-5-methoxybenzaldehyde19463-48-059 % similar 3,4-Dichlorobenzaldehyde6287-38-358 % similar 3-Methoxy-4-methylbenzaldehyde24973-22-657 % similar

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

Same formula

4-Methoxybenzoyl chloride100-07-2 Methyl 4-chlorobenzoate1126-46-1 4-Chloro-3-methoxybenzaldehyde13726-16-4 5′-Chloro-2′-hydroxyacetophenone1450-74-4 4-(Chloromethyl)benzoic acid1642-81-5 3-Methoxybenzoyl chloride1711-05-3 (3-Chlorophenyl)acetic acid1878-65-5 (4-Chlorophenyl)acetic acid1878-66-6

Elsewhere

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