chempirical

4-Methoxybenzeneacetyl chloride

C9H9ClO2CAS 4693-91-8184.62 g/mol

Open in Covalent MOL file
OOCl
Acyl halideEther

Properties

Molecular formula
C9H9ClO2
Molar mass
184.62 g/mol
Exact mass
184.0291 Da
Density
1.2283 g/mL (at 0 °C)
Boiling point
139 °C
logP
2.00Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
4693-91-8
SMILES
COc1ccc(CC(=O)Cl)cc1
InChIKey
CXJOONIFSVSFAD-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO2/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • Benzeneacetyl chloride, 4-methoxy-
  • Acetyl chloride, (p-methoxyphenyl)-
  • (p-Methoxyphenyl)acetyl chloride
  • (4-Methoxyphenyl)acetyl chloride
  • p-Methoxyphenacetyl chloride
  • p-Anisylacetyl chloride
  • 2-(4-Methoxyphenyl)acetyl chloride
  • 4-Methoxyphenacetyl chloride

Work with 4-Methoxybenzeneacetyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Methoxyphenylacetone122-84-961 % similar (4-Methoxyphenyl)acetic acid104-01-859 % similar 1,2-Bis(4-methoxyphenyl)ethanone120-44-559 % similar Methyl 4-methoxybenzeneacetate23786-14-359 % similar 4-Chlorobenzeneacetyl chloride25026-34-056 % similar Phenylacetyl chloride103-80-055 % similar 2-(4-Fluorophenyl)acetyl chloride459-04-155 % similar Ethyl p-methoxyphenylacetate14062-18-154 % similar

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

Same formula

Ethyl m-chlorobenzoate1128-76-3 2-Phenoxypropanoyl chloride122-35-0 Phenylmethyl 2-chloroacetate140-18-1 4-Ethoxybenzoyl chloride16331-46-7 3-(3-Chlorophenyl)propanoic acid21640-48-2 2-Chloro-1-(4-methoxyphenyl)ethanone2196-99-8 2-(4-Chlorophenyl)-1,3-dioxolane2403-54-5 1-[3-(Chloromethyl)-4-hydroxyphenyl]ethanone24085-05-0

Elsewhere

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