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Details

Stereochemistry ACHIRAL
Molecular Formula C21H13Br
Molecular Weight 345.232
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-Bromomethylbenzo[a]pyrene

SMILES

BrCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C15

InChI

InChIKey=DMAOOKLAQXNHTK-UHFFFAOYSA-N
InChI=1S/C21H13Br/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

Molecular Formula C21H13Br
Molecular Weight 345.232
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 05:42:30 GMT 2023
Edited
by admin
on Sat Dec 16 05:42:30 GMT 2023
Record UNII
5UTE82VVZ5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-Bromomethylbenzo[a]pyrene
Systematic Name English
Benzo[a]pyrene, 6-(bromomethyl)-
Systematic Name English
Code System Code Type Description
PUBCHEM
39559
Created by admin on Sat Dec 16 05:42:30 GMT 2023 , Edited by admin on Sat Dec 16 05:42:30 GMT 2023
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FDA UNII
5UTE82VVZ5
Created by admin on Sat Dec 16 05:42:30 GMT 2023 , Edited by admin on Sat Dec 16 05:42:30 GMT 2023
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EPA CompTox
DTXSID30198126
Created by admin on Sat Dec 16 05:42:30 GMT 2023 , Edited by admin on Sat Dec 16 05:42:30 GMT 2023
PRIMARY
CAS
49852-85-9
Created by admin on Sat Dec 16 05:42:30 GMT 2023 , Edited by admin on Sat Dec 16 05:42:30 GMT 2023
PRIMARY