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

Details

Stereochemistry ACHIRAL
Molecular Formula C24H13F
Molecular Weight 320.3584
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Fluorodibenzo[a,i]pyrene

SMILES

FC1=CC=C2C(=C1)C=C3C=CC4=C5C(C=CC2=C35)=C6C=CC=CC6=C4

InChI

InChIKey=RFZRVBKLYCYBKA-UHFFFAOYSA-N
InChI=1S/C24H13F/c25-18-7-8-20-17(13-18)12-16-6-5-15-11-14-3-1-2-4-19(14)21-9-10-22(20)24(16)23(15)21/h1-13H

HIDE SMILES / InChI

Molecular Formula C24H13F
Molecular Weight 320.3584
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 Mon Mar 31 19:36:55 GMT 2025
Edited
by admin
on Mon Mar 31 19:36:55 GMT 2025
Record UNII
TTM8HG3CNF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Fluorobenzo[rst]pentaphene
Preferred Name English
3-Fluorodibenzo[a,i]pyrene
Systematic Name English
Benzo[rst]pentaphene, 3-fluoro-
Systematic Name English
Fluorodibenzo[a,i]pyrene, 3-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70210735
Created by admin on Mon Mar 31 19:36:55 GMT 2025 , Edited by admin on Mon Mar 31 19:36:55 GMT 2025
PRIMARY
CAS
61735-77-1
Created by admin on Mon Mar 31 19:36:55 GMT 2025 , Edited by admin on Mon Mar 31 19:36:55 GMT 2025
PRIMARY
FDA UNII
TTM8HG3CNF
Created by admin on Mon Mar 31 19:36:55 GMT 2025 , Edited by admin on Mon Mar 31 19:36:55 GMT 2025
PRIMARY
PUBCHEM
43770
Created by admin on Mon Mar 31 19:36:55 GMT 2025 , Edited by admin on Mon Mar 31 19:36:55 GMT 2025
PRIMARY