chempirical

4-Chloro-α-methylbenzeneacetic acid

C9H9ClO2CAS 938-95-4184.62 g/mol

Open in Covalent MOL file
OHOCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C9H9ClO2
Molar mass
184.62 g/mol
Exact mass
184.0291 Da
Melting point
58–58.5 °C
logP
2.53Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
938-95-4
SMILES
CC(C(=O)O)c1ccc(Cl)cc1
InChIKey
YOZILQVNIWNPFP-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

9 names
  • Benzeneacetic acid, 4-chloro-α-methyl-
  • Hydratropic acid, p-chloro-
  • 2-(4-Chlorophenyl)propionic acid
  • 2-(p-Chlorophenyl)propionic acid
  • p-Chloro-α-methylphenylacetic acid
  • 2-(4-Chlorophenyl)propanoic acid
  • (±)-2-(p-Chlorophenyl)propionic acid
  • (±)-2-(4-Chlorophenyl)propionic acid
  • 4-Chloro-α-methylphenylacetic acid

Work with 4-Chloro-α-methylbenzeneacetic acid

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-(4-Hydroxyphenyl)propionic acid938-96-568 % similar 2-(4-Chlorophenyl)-3-methylbutyric acid2012-74-067 % similar (+)-2-Phenylpropionic acid7782-24-365 % similar (-)-2-Phenylpropionic acid7782-26-565 % similar α-Methyl[1,1′-biphenyl]-4-acetic acid6341-72-662 % similar 4-Chloromandelic acid492-86-461 % similar 4-Chloromandelic acid7138-34-361 % similar α-Amino-4-chlorobenzeneacetic acid6212-33-559 % 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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