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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=C2C3=CC=CC=C3C=C4C=CC5=CC=CC(=C1)C5=C24

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 Sat Dec 16 20:20:57 GMT 2023
Edited
by admin
on Sat Dec 16 20:20:57 GMT 2023
Record UNII
QT5RFB27R5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
11-Chloromethylbenzo[a]pyrene
Systematic Name English
Benzo[a]pyrene, 11-(chloromethyl)-
Systematic Name English
Code System Code Type Description
PUBCHEM
56771
Created by admin on Sat Dec 16 20:20:57 GMT 2023 , Edited by admin on Sat Dec 16 20:20:57 GMT 2023
PRIMARY
CAS
94500-54-6
Created by admin on Sat Dec 16 20:20:57 GMT 2023 , Edited by admin on Sat Dec 16 20:20:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID20241514
Created by admin on Sat Dec 16 20:20:57 GMT 2023 , Edited by admin on Sat Dec 16 20:20:57 GMT 2023
PRIMARY
FDA UNII
QT5RFB27R5
Created by admin on Sat Dec 16 20:20:57 GMT 2023 , Edited by admin on Sat Dec 16 20:20:57 GMT 2023
PRIMARY