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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6BrNO2
Molecular Weight 228.043
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BROMONITROSTYRENE, (E)-

SMILES

[O-][N+](=O)C(\Br)=C/C1=CC=CC=C1

InChI

InChIKey=SKDNDVDHYMEGNJ-VURMDHGXSA-N
InChI=1S/C8H6BrNO2/c9-8(10(11)12)6-7-4-2-1-3-5-7/h1-6H/b8-6-

HIDE SMILES / InChI

Molecular Formula C8H6BrNO2
Molecular Weight 228.043
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:32:17 GMT 2023
Edited
by admin
on Fri Dec 15 18:32:17 GMT 2023
Record UNII
3R02OK3KNE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BROMONITROSTYRENE, (E)-
Systematic Name English
BENZENE, (2-BROMO-2-NITROETHENYL)-, (E)-
Systematic Name English
BENZENE, ((1E)-2-BROMO-2-NITROETHENYL)-
Systematic Name English
Code System Code Type Description
CAS
39674-40-3
Created by admin on Fri Dec 15 18:32:17 GMT 2023 , Edited by admin on Fri Dec 15 18:32:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID40881133
Created by admin on Fri Dec 15 18:32:17 GMT 2023 , Edited by admin on Fri Dec 15 18:32:17 GMT 2023
PRIMARY
PUBCHEM
6433494
Created by admin on Fri Dec 15 18:32:17 GMT 2023 , Edited by admin on Fri Dec 15 18:32:17 GMT 2023
PRIMARY
FDA UNII
3R02OK3KNE
Created by admin on Fri Dec 15 18:32:17 GMT 2023 , Edited by admin on Fri Dec 15 18:32:17 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY