chempirical

3-Chloromandelic acid

C8H7ClO3CAS 16273-37-3186.59 g/mol

Open in Covalent MOL file
OHOHOCl
AlcoholCarboxylic AcidHalogen

Properties

Molecular formula
C8H7ClO3
Molar mass
186.59 g/mol
Exact mass
186.0084 Da
Melting point
115–115.5 °C
logP
1.46Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
16273-37-3
SMILES
O=C(O)C(O)c1cccc(Cl)c1
InChIKey
SAMVPMGKGGLIPF-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClO3/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)

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Names and synonyms

9 names
  • Benzeneacetic acid, 3-chloro-α-hydroxy-
  • Mandelic acid, m-chloro-
  • 3-Chloro-α-hydroxybenzeneacetic acid
  • m-Chloromandelic acid
  • (±)-m-Chloromandelic acid
  • NSC 126599
  • 2-(3-Chlorophenyl)-2-(hydroxy)acetic acid
  • (3-Chlorophenyl)hydroxyacetic acid
  • 3-Chlorophenyl-2-hydroxyacetic acid

Work with 3-Chloromandelic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

2-Chloromandelic acid10421-85-9 4-Chlorophenoxyacetic acid122-88-3 3-Chloro-4-hydroxy-5-methoxybenzaldehyde19463-48-0 3-Chloro-2-methoxybenzoic acid3260-93-3 3-Chloro-4-hydroxyphenylacetic acid33697-81-3 5-Chloro-2-methoxybenzoic acid3438-16-2 3-Chloro-4-methoxybenzoic acid37908-96-6 Methyl 3-chloro-4-hydroxybenzoate3964-57-6

Elsewhere

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