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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 6-CHLOROMETHYLBENZO(A)PYRENE

SMILES

ClCC1=C2C=CC3=CC=CC4=CC=C(C5=CC=CC=C15)C2=C34

InChI

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

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
6-CHLOROMETHYLBENZO(A)PYRENE
Systematic Name English
6-(CHLOROMETHYL)BENZO(A)PYRENE
Preferred Name English
BENZO(A)PYRENE, 6-CHLOROMETHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
A5LE8GJ6VM
Created by admin on Mon Mar 31 21:32:17 GMT 2025 , Edited by admin on Mon Mar 31 21:32:17 GMT 2025
PRIMARY
PUBCHEM
39558
Created by admin on Mon Mar 31 21:32:17 GMT 2025 , Edited by admin on Mon Mar 31 21:32:17 GMT 2025
PRIMARY
EPA CompTox
DTXSID001032363
Created by admin on Mon Mar 31 21:32:17 GMT 2025 , Edited by admin on Mon Mar 31 21:32:17 GMT 2025
PRIMARY
CAS
49852-84-8
Created by admin on Mon Mar 31 21:32:17 GMT 2025 , Edited by admin on Mon Mar 31 21:32:17 GMT 2025
PRIMARY
NIH
NCATS
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