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Details

Stereochemistry ACHIRAL
Molecular Formula C19H13Br
Molecular Weight 321.211
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 12-Bromomethylbenz[a]anthracene

SMILES

BrCC1=C2C(C=CC3=CC=CC=C23)=CC4=CC=CC=C14

InChI

InChIKey=GSIGMXDJDJOAOO-UHFFFAOYSA-N
InChI=1S/C19H13Br/c20-12-18-16-7-3-2-6-14(16)11-15-10-9-13-5-1-4-8-17(13)19(15)18/h1-11H,12H2

HIDE SMILES / InChI

Molecular Formula C19H13Br
Molecular Weight 321.211
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 22:08:49 GMT 2025
Edited
by admin
on Mon Mar 31 22:08:49 GMT 2025
Record UNII
3H3WDH38G4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
12-(Bromomethyl)benz[a]anthracene
Preferred Name English
12-Bromomethylbenz[a]anthracene
Systematic Name English
12-(bromomethyl)tetraphene
Systematic Name English
Benz[a]anthracene, 12-(bromomethyl)-
Systematic Name English
Code System Code Type Description
FDA UNII
3H3WDH38G4
Created by admin on Mon Mar 31 22:08:49 GMT 2025 , Edited by admin on Mon Mar 31 22:08:49 GMT 2025
PRIMARY
PUBCHEM
54211
Created by admin on Mon Mar 31 22:08:49 GMT 2025 , Edited by admin on Mon Mar 31 22:08:49 GMT 2025
PRIMARY
CAS
78533-30-9
Created by admin on Mon Mar 31 22:08:49 GMT 2025 , Edited by admin on Mon Mar 31 22:08:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID50229143
Created by admin on Mon Mar 31 22:08:49 GMT 2025 , Edited by admin on Mon Mar 31 22:08:49 GMT 2025
PRIMARY