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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 5-CHLOROMETHYLBENZO(A)PYRENE

SMILES

ClCC1=CC2=CC=CC3=C2C4=C(C=C3)C5=CC=CC=C5C=C14

InChI

InChIKey=WFAJDSVQAGXSMA-UHFFFAOYSA-N
InChI=1S/C21H13Cl/c22-12-16-10-15-6-3-5-13-8-9-18-17-7-2-1-4-14(17)11-19(16)21(18)20(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 09:53:09 GMT 2023
Edited
by admin
on Sat Dec 16 09:53:09 GMT 2023
Record UNII
9YU4TQ8XNG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-CHLOROMETHYLBENZO(A)PYRENE
Systematic Name English
BENZO(A)PYRENE, 5-(CHLOROMETHYL)-
Systematic Name English
5-(CHLOROMETHYL)BENZO(A)PYRENE
Systematic Name English
Code System Code Type Description
PUBCHEM
34746
Created by admin on Sat Dec 16 09:53:09 GMT 2023 , Edited by admin on Sat Dec 16 09:53:09 GMT 2023
PRIMARY
CAS
29852-26-4
Created by admin on Sat Dec 16 09:53:09 GMT 2023 , Edited by admin on Sat Dec 16 09:53:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID60183969
Created by admin on Sat Dec 16 09:53:09 GMT 2023 , Edited by admin on Sat Dec 16 09:53:09 GMT 2023
PRIMARY
FDA UNII
9YU4TQ8XNG
Created by admin on Sat Dec 16 09:53:09 GMT 2023 , Edited by admin on Sat Dec 16 09:53:09 GMT 2023
PRIMARY