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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H7ClO3
Molecular Weight 186.592
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (S)-2-CHLOROMANDELIC ACID

SMILES

O[C@H](C(O)=O)C1=CC=CC=C1Cl

InChI

InChIKey=RWOLDZZTBNYTMS-ZETCQYMHSA-N
InChI=1S/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H7ClO3
Molecular Weight 186.592
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:10:27 UTC 2023
Edited
by admin
on Sat Dec 16 16:10:27 UTC 2023
Record UNII
P3948WAT0C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(S)-2-CHLOROMANDELIC ACID
Common Name English
(+)-2-CHLOROMANDELIC ACID
Common Name English
R288222
Code English
RWJ-333369 METABOLITE M5
Common Name English
BENZENEACETIC ACID, 2-CHLORO-.ALPHA.-HYDROXY-, (.ALPHA.S)-
Systematic Name English
(2S)-2-(2-CHLOROPHENYL)-2-HYDROXYACETIC ACID
Systematic Name English
(S)-O-CHLOROMANDELIC ACID
Common Name English
BENZENEACETIC ACID, 2-CHLORO-.ALPHA.-HYDROXY-, (S)-
Systematic Name English
Code System Code Type Description
CAS
52950-19-3
Created by admin on Sat Dec 16 16:10:27 UTC 2023 , Edited by admin on Sat Dec 16 16:10:27 UTC 2023
PRIMARY
FDA UNII
P3948WAT0C
Created by admin on Sat Dec 16 16:10:27 UTC 2023 , Edited by admin on Sat Dec 16 16:10:27 UTC 2023
PRIMARY
EPA CompTox
DTXSID201312276
Created by admin on Sat Dec 16 16:10:27 UTC 2023 , Edited by admin on Sat Dec 16 16:10:27 UTC 2023
PRIMARY
PUBCHEM
6922874
Created by admin on Sat Dec 16 16:10:27 UTC 2023 , Edited by admin on Sat Dec 16 16:10:27 UTC 2023
PRIMARY
Related Record Type Details
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