3-Methoxybenzoyl chloride

C₈H₇ClO₂CAS 1711-05-3170.59 g/mol

Open in Covalent MOL file

Acyl halide Ether

Properties

Molecular formula: C₈H₇ClO₂
Molar mass: 170.59 g/mol
Exact mass: 170.0135 Da
Boiling point: 118–120 °C (at 11 Torr)
logP: 2.07Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

1711-05-3

SMILES

COc1cccc(C(=O)Cl)c1

InChIKey

RUQIUASLAXJZIE-UHFFFAOYSA-N

InChI

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

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Names and synonyms

5 names

Benzoyl chloride, 3-methoxy-
m-Anisoyl chloride
m-Methoxybenzoyl chloride
3-Methoxybenzoic acid chloride
3-Anisoyl chloride

Work with 3-Methoxybenzoyl 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

3,5-Dimethoxybenzoyl chloride17213-57-968 % similar Isophthaloyl chloride99-63-862 % similar 3-Methoxyacetophenone586-37-862 % similar Methyl m-methoxybenzoate5368-81-060 % similar 3-Methoxybenzoic acid586-38-960 % similar 3,4-Dimethoxybenzoyl chloride3535-37-357 % similar 3′-Methoxypropiophenone37951-49-857 % similar 3-Methylbenzoyl chloride1711-06-456 % 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-Chlorophenyl)acetic acid1878-65-5 (4-Chlorophenyl)acetic acid1878-66-6 Piperonyl chloride20850-43-5

Elsewhere

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