(-)-2-Chloromandelic acid

C8H7ClO3CAS 52950-18-2186.59 g/mol

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OHOHOCl
AlcoholAryl halideCarboxylic acid

Properties

Molecular formula
C8H7ClO3
Molar mass
186.59 g/mol
Exact mass
186.0084 Da
logP
1.46Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
52950-18-2
SMILES
O=C(O)[C@H](O)c1ccccc1Cl
InChIKey
RWOLDZZTBNYTMS-SSDOTTSWSA-N
InChI
InChI=1S/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m1/s1

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Names and synonyms

12 names
  • Benzeneacetic acid, 2-chloro-α-hydroxy-, (αR)-
  • Benzeneacetic acid, 2-chloro-α-hydroxy-, (R)-
  • (αR)-2-Chloro-α-hydroxybenzeneacetic acid
  • (R)-2-Hydroxy-2-(2-chlorophenyl)acetic acid
  • (R)-2-Chloromandelic acid
  • (R)-(-)-2-Hydroxy-2-(2-chlorophenyl)acetic acid
  • (R)-(2-Chlorophenyl)(hydroxy)acetic acid
  • (R)-2-(2-Chlorophenyl)-2-hydroxyethanoic acid
  • (R)-o-Chloromandelic acid
  • (2R)-2-(2-Chlorophenyl)-2-(hydroxy)acetic acid
  • (R)-(-)-2-Chloromandelic acid
  • (R)-2-(2-Chlorophenyl)-2-hydroxyacetic acid

Work with (-)-2-Chloromandelic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-2-Chloromandelic acid52950-19-3Enantiomer 2-Chloromandelic acid10421-85-9Stereo not defined

Similar compounds

Alpha-Bromo-2-chlorobenzeneacetic acid141109-25-363 % similar 2-(2-Chlorophenyl)glycine141196-64-763 % similar (2S)-2-Amino-2-(2-chlorophenyl)acetic acid141315-50-663 % similar Alpha-Bromo-2-chlorobenzeneacetic acid29270-30-263 % similar D-(+)-(2-Chlorophenyl)glycine86169-24-663 % similar 2-(2-Chlorophenyl)glycine88744-36-963 % similar 2,3-Difluoromandelic acid207974-19-455 % similar (S)-Mandelic acid17199-29-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chlorophenoxyacetic acid122-88-3 3-Chloromandelic acid16273-37-3 3-Chloro-4-hydroxy-5-methoxybenzaldehyde19463-48-0 2-Chloro-4-methoxybenzoic acid21971-21-1 (R)-2-(4-Chlorophenyl)-2-hydroxyethanoic acid32189-36-9 3-Chloro-2-methoxybenzoic acid3260-93-3 3-Chloro-4-hydroxyphenylacetic acid33697-81-3

Elsewhere

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