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Details

Stereochemistry ACHIRAL
Molecular Formula C21H13Cl
Molecular Weight 300.781
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11-Chloromethylbenzo[a]pyrene

SMILES

ClCC1=CC2=CC=CC3=C2C4=C1C5=C(C=CC=C5)C=C4C=C3

InChI

InChIKey=YNFWZKLFAYROMP-UHFFFAOYSA-N
InChI=1S/C21H13Cl/c22-12-17-11-15-6-3-5-13-8-9-16-10-14-4-1-2-7-18(14)20(17)21(16)19(13)15/h1-11H,12H2

HIDE SMILES / InChI

Molecular Formula C21H13Cl
Molecular Weight 300.781
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 19:33:49 GMT 2025
Edited
by admin
on Wed Apr 02 19:33:49 GMT 2025
Record UNII
QT5RFB27R5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzo[a]pyrene, 11-(chloromethyl)-
Preferred Name English
11-Chloromethylbenzo[a]pyrene
Systematic Name English
Code System Code Type Description
PUBCHEM
56771
Created by admin on Wed Apr 02 19:33:49 GMT 2025 , Edited by admin on Wed Apr 02 19:33:49 GMT 2025
PRIMARY
CAS
94500-54-6
Created by admin on Wed Apr 02 19:33:49 GMT 2025 , Edited by admin on Wed Apr 02 19:33:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID20241514
Created by admin on Wed Apr 02 19:33:49 GMT 2025 , Edited by admin on Wed Apr 02 19:33:49 GMT 2025
PRIMARY
FDA UNII
QT5RFB27R5
Created by admin on Wed Apr 02 19:33:49 GMT 2025 , Edited by admin on Wed Apr 02 19:33:49 GMT 2025
PRIMARY