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(-)-2-Chloromandelic acid

IUPAC: (2R)-2-(2-chlorophenyl)-2-hydroxyacetic acid

CAS 52950-18-2
C8H7ClO3

(-)-2-Chloromandelic acid (CAS 52950-18-2) is a chemical compound with molecular formula C8H7ClO3 and molecular weight 186.59 g/mol .

What is (-)-2-Chloromandelic acid?

Molecular Formula
C8H7ClO3
Molecular Weight
186.59 g/mol

Structure Identifiers

SMILES
C1=CC=C(C(=C1)[C@H](C(=O)O)O)Cl
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
InChIKey
RWOLDZZTBNYTMS-SSDOTTSWSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
186.0084 Da
XLogP
1.50
TPSA
57.5 Ų
H-Bond Donors
2
H-Bond Acceptors
3
Complexity
172
Formal Charge
0

Safety information

No safety data available for this chemical.

Synonyms (32)

  • C1663
  • F011644
  • FC03642
  • AC-11667
  • AS-12044
  • AS-81148
  • SY008252
  • 52950-18-2
  • CS-W016881
  • NS00077611
  • EN300-92105
  • Z1255488133
  • MFCD00798429
  • SCHEMBL24732
  • AKOS016842462
  • DTXSID10369958
  • RefChem:390919
  • SCHEMBL29398319
  • r-2-chloromandelic acid
  • 2-Chloro-D-mandelic Acid
  • (-)-2-chloromandelic acid
  • (R)-2-Chloromandelic acid
  • (r)-o-chloromandelic acid
  • (R)-(-)-2-Chloromandelic acid
  • (R)-(-)-2-Chloromandelic acid, 99%
  • (R)-(2-chlorophenyl)hydroxyacetic acid
  • (2R)-(2-Chlorophenyl)(hydroxy)acetic acid
  • (R)-2-(2-Chlorophenyl)-2-hydroxyacetic acid
  • (2R)-2-(2-chlorophenyl)-2-hydroxyacetic acid
  • (R)-2'-Chloro-alpha-hydroxyphenylacetic Acid
  • (2R)-2-(2-chlorophenyl)-2-hydroxy-acetic acid
  • (R)-(-)-2-Chloromandelic acid, ChiPros(R), produced by BASF, 98%, >=97.5% (HPLC)

Frequently asked questions

What is the CAS number of (-)-2-Chloromandelic acid?

The CAS Registry Number for (-)-2-Chloromandelic acid is 52950-18-2.

What is the IUPAC name of (-)-2-Chloromandelic acid?

The IUPAC name of (-)-2-Chloromandelic acid is (2R)-2-(2-chlorophenyl)-2-hydroxyacetic acid.

What is the molecular formula of (-)-2-Chloromandelic acid?

(-)-2-Chloromandelic acid has the molecular formula C8H7ClO3 and a molecular weight of 186.59 g/mol.

What is the SMILES notation for (-)-2-Chloromandelic acid?

The SMILES notation for (-)-2-Chloromandelic acid is C1=CC=C(C(=C1)[C@H](C(=O)O)O)Cl.

What are other names for (-)-2-Chloromandelic acid?

(-)-2-Chloromandelic acid is also known as (-)-2-chloromandelic acid, (2R)-(2-Chlorophenyl)(hydroxy)acetic acid, (2R)-2-(2-chlorophenyl)-2-hydroxy-acetic acid, (2R)-2-(2-chlorophenyl)-2-hydroxyacetic acid, (R)-(-)-2-Chloromandelic acid.

Data sourced from PubChem CID 2733641. Last updated .

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