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Details

Stereochemistry ACHIRAL
Molecular Formula C16H7ClF2O4
Molecular Weight 336.674
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-Chloro-2-(2,5-difluorophenyl)-4-oxo-4H-1-benzopyran-3-carboxylic acid

SMILES

OC(=O)C1=C(OC2=C(C=CC(Cl)=C2)C1=O)C3=CC(F)=CC=C3F

InChI

InChIKey=NWCUBMQZYIIGFT-UHFFFAOYSA-N
InChI=1S/C16H7ClF2O4/c17-7-1-3-9-12(5-7)23-15(13(14(9)20)16(21)22)10-6-8(18)2-4-11(10)19/h1-6H,(H,21,22)

HIDE SMILES / InChI

Molecular Formula C16H7ClF2O4
Molecular Weight 336.674
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 08:46:48 GMT 2025
Edited
by admin
on Wed Apr 02 08:46:48 GMT 2025
Record UNII
9QHH6S3CHR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-Chloro-2-(2,5-difluorophenyl)-4-oxo-4H-1-benzopyran-3-carboxylic acid
Systematic Name English
TNF-?-IN-18
Preferred Name English
2-(2,5-Difluorophenyl)-3-carboxy-7-chloro-(4H)-4-benzopyranone
Systematic Name English
4H-1-Benzopyran-3-carboxylic acid, 7-chloro-2-(2,5-difluorophenyl)-4-oxo-
Systematic Name English
Code System Code Type Description
FDA UNII
9QHH6S3CHR
Created by admin on Wed Apr 02 08:46:48 GMT 2025 , Edited by admin on Wed Apr 02 08:46:48 GMT 2025
PRIMARY
CAS
1272322-42-5
Created by admin on Wed Apr 02 08:46:48 GMT 2025 , Edited by admin on Wed Apr 02 08:46:48 GMT 2025
PRIMARY
PUBCHEM
138561980
Created by admin on Wed Apr 02 08:46:48 GMT 2025 , Edited by admin on Wed Apr 02 08:46:48 GMT 2025
PRIMARY
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