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Details

Stereochemistry ACHIRAL
Molecular Formula C7H4F2O2
Molecular Weight 158.1023
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-Difluorobenzoic acid

SMILES

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

InChI

InChIKey=FPENCTDAQQQKNY-UHFFFAOYSA-N
InChI=1S/C7H4F2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C7H4F2O2
Molecular Weight 158.1023
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 12:32:56 GMT 2023
Edited
by admin
on Sat Dec 16 12:32:56 GMT 2023
Record UNII
J5J3RFV8N6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-Difluorobenzoic acid
Systematic Name English
NSC-190686
Code English
Benzoic acid, 3,4-difluoro-
Systematic Name English
Code System Code Type Description
FDA UNII
J5J3RFV8N6
Created by admin on Sat Dec 16 12:32:56 GMT 2023 , Edited by admin on Sat Dec 16 12:32:56 GMT 2023
PRIMARY
CAS
455-86-7
Created by admin on Sat Dec 16 12:32:56 GMT 2023 , Edited by admin on Sat Dec 16 12:32:56 GMT 2023
PRIMARY
NSC
190686
Created by admin on Sat Dec 16 12:32:56 GMT 2023 , Edited by admin on Sat Dec 16 12:32:56 GMT 2023
PRIMARY
PUBCHEM
99166
Created by admin on Sat Dec 16 12:32:56 GMT 2023 , Edited by admin on Sat Dec 16 12:32:56 GMT 2023
PRIMARY
ECHA (EC/EINECS)
207-249-6
Created by admin on Sat Dec 16 12:32:56 GMT 2023 , Edited by admin on Sat Dec 16 12:32:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID60196539
Created by admin on Sat Dec 16 12:32:56 GMT 2023 , Edited by admin on Sat Dec 16 12:32:56 GMT 2023
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