Basic information
- CAS
1016-90-6- Standard SMILES
NC1=NN(O)C2=CC([N+](=O)[O-])C=CC2=N1- InChIKey
NHMLUNKMFNFIPZ-UHFFFAOYSA-N- Molecular formula
- C7H7N5O3
- Average molar mass
- 209.16 g/mol
- Monoisotopic mass
- 209.0548891
Names & identifiers
- Preferred name
- 1-hydroxy-7-nitro-7H-1,2,4-benzotriazin-3-amine
- IUPAC
- 1-hydroxy-7-nitro-7H-1,2,4-benzotriazin-3-amine
Names & synonyms
1016-90-61-hydroxy-7-nitro-7H-1,2,4-benzotriazin-3-amineNSC280433DTXSID00330576NSC-280433DS-0081803-Amino-7-nitro-1,2,4-benzotriazin-1(7H)-ol1,2,4-BENZOTRIAZIN-3-AMINE,7-NITRO-, 1-OXIDE
Database identifiers
- CAS
1016-90-6- PubChem CID
- 430641
- DTXSID
DTXSID00330576
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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