chempirical

(-)-2-Chloromandelic acid

C8H7ClO3CAS 52950-18-2186.59 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
logP
1.46Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

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

Weigh it out

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

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 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-Chloromandelic acid16273-37-3 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

Elsewhere

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