U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H4BrFO2
Molecular Weight 219.008
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Bromo-2-fluorobenzoic acid

SMILES

OC(=O)C1=C(F)C=C(Br)C=C1

InChI

InChIKey=ZQQSRVPOAHYHEL-UHFFFAOYSA-N
InChI=1S/C7H4BrFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C7H4BrFO2
Molecular Weight 219.008
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 Sat Dec 16 20:20:35 GMT 2023
Edited
by admin
on Sat Dec 16 20:20:35 GMT 2023
Record UNII
CNX7NG4GG6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Bromo-2-fluorobenzoic acid
Systematic Name English
NSC-190364
Code English
Benzoic acid, 4-bromo-2-fluoro-
Systematic Name English
2-Fluoro-4-bromobenzoic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
302681
Created by admin on Sat Dec 16 20:20:35 GMT 2023 , Edited by admin on Sat Dec 16 20:20:35 GMT 2023
PRIMARY
CAS
112704-79-7
Created by admin on Sat Dec 16 20:20:35 GMT 2023 , Edited by admin on Sat Dec 16 20:20:35 GMT 2023
PRIMARY
FDA UNII
CNX7NG4GG6
Created by admin on Sat Dec 16 20:20:35 GMT 2023 , Edited by admin on Sat Dec 16 20:20:35 GMT 2023
PRIMARY