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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 4-NITRO-1H-BENZOTRIAZOLE

SMILES

[O-][N+](=O)C1=CC=CC2=C1N=NN2

InChI

InChIKey=UTMDJGPRCLQPBT-UHFFFAOYSA-N
InChI=1S/C6H4N4O2/c11-10(12)5-3-1-2-4-6(5)8-9-7-4/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 Tue Apr 01 19:25:18 GMT 2025
Edited
by admin
on Tue Apr 01 19:25:18 GMT 2025
Record UNII
S75GE4B24J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-44657
Preferred Name English
4-NITRO-1H-BENZOTRIAZOLE
Systematic Name English
4-NITROBENZOTRIAZOLE
Systematic Name English
1H-BENZOTRIAZOLE, 7-NITRO-
Systematic Name English
4-NITRO-1H-1,2,3-BENZOTRIAZOLE
Systematic Name English
Code System Code Type Description
NSC
44657
Created by admin on Tue Apr 01 19:25:18 GMT 2025 , Edited by admin on Tue Apr 01 19:25:18 GMT 2025
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FDA UNII
S75GE4B24J
Created by admin on Tue Apr 01 19:25:18 GMT 2025 , Edited by admin on Tue Apr 01 19:25:18 GMT 2025
PRIMARY
PUBCHEM
80533
Created by admin on Tue Apr 01 19:25:18 GMT 2025 , Edited by admin on Tue Apr 01 19:25:18 GMT 2025
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CAS
6299-39-4
Created by admin on Tue Apr 01 19:25:18 GMT 2025 , Edited by admin on Tue Apr 01 19:25:18 GMT 2025
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SMS_ID
300000053058
Created by admin on Tue Apr 01 19:25:18 GMT 2025 , Edited by admin on Tue Apr 01 19:25:18 GMT 2025
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EPA CompTox
DTXSID70212198
Created by admin on Tue Apr 01 19:25:18 GMT 2025 , Edited by admin on Tue Apr 01 19:25:18 GMT 2025
PRIMARY
ECHA (EC/EINECS)
228-579-7
Created by admin on Tue Apr 01 19:25:18 GMT 2025 , Edited by admin on Tue Apr 01 19:25:18 GMT 2025
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