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Details

Stereochemistry ACHIRAL
Molecular Formula C6H4N4O2
Molecular Weight 164.1216
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Nitrobenzotriazole

SMILES

[O-][N+](=O)C1=CC=C2NN=NC2=C1

InChI

InChIKey=AOCDQWRMYHJTMY-UHFFFAOYSA-N
InChI=1S/C6H4N4O2/c11-10(12)4-1-2-5-6(3-4)8-9-7-5/h1-3H,(H,7,8,9)

HIDE SMILES / InChI

Molecular Formula C6H4N4O2
Molecular Weight 164.1216
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 20:01:15 GMT 2023
Edited
by admin
on Sat Dec 16 20:01:15 GMT 2023
Record UNII
MBZ62VSZ9Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Nitrobenzotriazole
Systematic Name English
NSC-3132
Code English
1H-Benzotriazole, 5-nitro-
Systematic Name English
1H-Benzotriazole, 6-nitro-
Systematic Name English
NSC-66476
Code English
Code System Code Type Description
FDA UNII
MBZ62VSZ9Z
Created by admin on Sat Dec 16 20:01:15 GMT 2023 , Edited by admin on Sat Dec 16 20:01:15 GMT 2023
PRIMARY
ECHA (EC/EINECS)
219-047-5
Created by admin on Sat Dec 16 20:01:15 GMT 2023 , Edited by admin on Sat Dec 16 20:01:15 GMT 2023
PRIMARY
NSC
66476
Created by admin on Sat Dec 16 20:01:15 GMT 2023 , Edited by admin on Sat Dec 16 20:01:15 GMT 2023
PRIMARY
NSC
3132
Created by admin on Sat Dec 16 20:01:15 GMT 2023 , Edited by admin on Sat Dec 16 20:01:15 GMT 2023
PRIMARY
PUBCHEM
61301
Created by admin on Sat Dec 16 20:01:15 GMT 2023 , Edited by admin on Sat Dec 16 20:01:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID2062329
Created by admin on Sat Dec 16 20:01:15 GMT 2023 , Edited by admin on Sat Dec 16 20:01:15 GMT 2023
PRIMARY
CAS
2338-12-7
Created by admin on Sat Dec 16 20:01:15 GMT 2023 , Edited by admin on Sat Dec 16 20:01:15 GMT 2023
PRIMARY