chempirical

2-Methoxybenzoyl chloride

C8H7ClO2CAS 21615-34-9170.59 g/mol

Open in Covalent MOL file
OOCl
Acyl halideEther

Properties

Molecular formula
C8H7ClO2
Molar mass
170.59 g/mol
Exact mass
170.0135 Da
Boiling point
128 °C (at 11 Torr)
logP
2.07Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
21615-34-9
SMILES
COc1ccccc1C(=O)Cl
InChIKey
RZNHSEZOLFEFGB-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClO2/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3

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Names and synonyms

8 names
  • Benzoyl chloride, 2-methoxy-
  • o-Anisoyl chloride
  • o-Methoxybenzoyl chloride
  • 2-Anisoyl chloride
  • Ortho-Anisoyl chloride
  • 2-Methoxybenzoic acid chloride
  • 2-(Methyloxy)benzoyl chloride
  • 2-Methoxybenzene-1-carbonyl chloride

Work with 2-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

2,6-Dimethoxybenzoyl chloride1989-53-365 % similar 2,5-Dimethoxybenzoyl chloride17918-14-862 % similar 2-Ethoxybenzoyl chloride42926-52-362 % similar Acetylsalicyloyl chloride5538-51-262 % similar 2′-Methoxyacetophenone579-74-859 % similar Phthaloyl chloride88-95-959 % similar O-Anisic acid579-75-958 % similar Methyl 2-methoxybenzoate606-45-158 % 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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