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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6BrNO5
Molecular Weight 276.041
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Bromo-2-nitrovanillin

SMILES

COC1=C(O)C(Br)=CC(C=O)=C1[N+]([O-])=O

InChI

InChIKey=XAZNBZJAJJLBJC-UHFFFAOYSA-N
InChI=1S/C8H6BrNO5/c1-15-8-6(10(13)14)4(3-11)2-5(9)7(8)12/h2-3,12H,1H3

HIDE SMILES / InChI

Molecular Formula C8H6BrNO5
Molecular Weight 276.041
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 22:13:54 GMT 2025
Edited
by admin
on Mon Mar 31 22:13:54 GMT 2025
Record UNII
4ZA75B5LZP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Bromo-2-nitrovanillin
Systematic Name English
5-Bromo-4-hydroxy-3-methoxy-2-nitrobenzaldehyde
Preferred Name English
Benzaldehyde, 5-bromo-4-hydroxy-3-methoxy-2-nitro-
Systematic Name English
Code System Code Type Description
PUBCHEM
3853255
Created by admin on Mon Mar 31 22:13:54 GMT 2025 , Edited by admin on Mon Mar 31 22:13:54 GMT 2025
PRIMARY
FDA UNII
4ZA75B5LZP
Created by admin on Mon Mar 31 22:13:54 GMT 2025 , Edited by admin on Mon Mar 31 22:13:54 GMT 2025
PRIMARY
CAS
98434-34-5
Created by admin on Mon Mar 31 22:13:54 GMT 2025 , Edited by admin on Mon Mar 31 22:13:54 GMT 2025
PRIMARY
EPA CompTox
DTXSID8021692
Created by admin on Mon Mar 31 22:13:54 GMT 2025 , Edited by admin on Mon Mar 31 22:13:54 GMT 2025
PRIMARY