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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 4-Chloromethylbenzo[a]pyrene

SMILES

ClCC1=CC2=CC3=CC=CC=C3C4=C2C5=C1C=CC=C5C=C4

InChI

InChIKey=GUIAADRSFYNYSR-UHFFFAOYSA-N
InChI=1S/C21H13Cl/c22-12-16-11-15-10-14-4-1-2-6-17(14)19-9-8-13-5-3-7-18(16)20(13)21(15)19/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 Mon Mar 31 21:52:01 GMT 2025
Edited
by admin
on Mon Mar 31 21:52:01 GMT 2025
Record UNII
X92U9HW9MJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Chloromethylbenzo[a]pyrene
Systematic Name English
Benzo[a]pyrene, 4-(chloromethyl)-
Preferred Name English
Code System Code Type Description
FDA UNII
X92U9HW9MJ
Created by admin on Mon Mar 31 21:52:01 GMT 2025 , Edited by admin on Mon Mar 31 21:52:01 GMT 2025
PRIMARY
PUBCHEM
56770
Created by admin on Mon Mar 31 21:52:01 GMT 2025 , Edited by admin on Mon Mar 31 21:52:01 GMT 2025
PRIMARY
EPA CompTox
DTXSID00241512
Created by admin on Mon Mar 31 21:52:01 GMT 2025 , Edited by admin on Mon Mar 31 21:52:01 GMT 2025
PRIMARY
CAS
94500-46-6
Created by admin on Mon Mar 31 21:52:01 GMT 2025 , Edited by admin on Mon Mar 31 21:52:01 GMT 2025
PRIMARY