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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H10ClFN2O2
Molecular Weight 280.682
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Chloro-?-[(5-fluoro-3-pyridinyl)amino]benzeneacetic acid, (?S)-

SMILES

OC(=O)[C@@H](NC1=CN=CC(F)=C1)C2=C(Cl)C=CC=C2

InChI

InChIKey=MESQVSSGOPEMKH-LBPRGKRZSA-N
InChI=1S/C13H10ClFN2O2/c14-11-4-2-1-3-10(11)12(13(18)19)17-9-5-8(15)6-16-7-9/h1-7,12,17H,(H,18,19)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H10ClFN2O2
Molecular Weight 280.682
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 Wed Apr 02 21:17:40 GMT 2025
Edited
by admin
on Wed Apr 02 21:17:40 GMT 2025
Record UNII
X2CJM4G729
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(?S)-2-Chloro-?-[(5-fluoro-3-pyridinyl)amino]benzeneacetic acid
Preferred Name English
2-Chloro-?-[(5-fluoro-3-pyridinyl)amino]benzeneacetic acid, (?S)-
Systematic Name English
Benzeneacetic acid, 2-chloro-?-[(5-fluoro-3-pyridinyl)amino]-, (?S)-
Systematic Name English
Code System Code Type Description
FDA UNII
X2CJM4G729
Created by admin on Wed Apr 02 21:17:40 GMT 2025 , Edited by admin on Wed Apr 02 21:17:40 GMT 2025
PRIMARY
CAS
2752477-50-0
Created by admin on Wed Apr 02 21:17:40 GMT 2025 , Edited by admin on Wed Apr 02 21:17:40 GMT 2025
PRIMARY