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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H13FO2
Molecular Weight 280.293
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[(4-Fluoro-1-naphthalenyl)methyl]benzoic acid

SMILES

OC(=O)C1=CC=CC=C1CC2=C3C=CC=CC3=C(F)C=C2

InChI

InChIKey=OHVSTMNYOCSAFF-UHFFFAOYSA-N
InChI=1S/C18H13FO2/c19-17-10-9-13(14-6-3-4-8-16(14)17)11-12-5-1-2-7-15(12)18(20)21/h1-10H,11H2,(H,20,21)

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-135937
Preferred Name English
2-[(4-Fluoro-1-naphthalenyl)methyl]benzoic acid
Systematic Name English
o-Toluic acid, ?-(4-fluoro-1-naphthyl)-
Systematic Name English
Benzoic acid, 2-[(4-fluoro-1-naphthalenyl)methyl]-
Systematic Name English
Code System Code Type Description
PUBCHEM
97604
Created by admin on Tue Apr 01 20:16:38 GMT 2025 , Edited by admin on Tue Apr 01 20:16:38 GMT 2025
PRIMARY
EPA CompTox
DTXSID80177966
Created by admin on Tue Apr 01 20:16:38 GMT 2025 , Edited by admin on Tue Apr 01 20:16:38 GMT 2025
PRIMARY
FDA UNII
GH62SSE5MU
Created by admin on Tue Apr 01 20:16:38 GMT 2025 , Edited by admin on Tue Apr 01 20:16:38 GMT 2025
PRIMARY
CAS
2341-58-4
Created by admin on Tue Apr 01 20:16:38 GMT 2025 , Edited by admin on Tue Apr 01 20:16:38 GMT 2025
PRIMARY
NSC
135937
Created by admin on Tue Apr 01 20:16:38 GMT 2025 , Edited by admin on Tue Apr 01 20:16:38 GMT 2025
PRIMARY