7-fluoro-1-hydroxy-7H-1,2,4-benzotriazin-3-amine
Basic information
- CAS
74916-51-1- Standard SMILES
NC1=NN(O)C2=CC(F)C=CC2=N1- InChIKey
NTKXHLQBKOXBKR-UHFFFAOYSA-N- Molecular formula
- C7H7FN4O
- Average molar mass
- 182.16 g/mol
- Monoisotopic mass
- 182.06038902
Names & identifiers
- Preferred name
- 7-fluoro-1-hydroxy-7H-1,2,4-benzotriazin-3-amine
- IUPAC
- 7-fluoro-1-hydroxy-7H-1,2,4-benzotriazin-3-amine
Names & synonyms
74916-51-17-fluoro-1-hydroxy-7H-1,2,4-benzotriazin-3-amineNSC255326DTXSID50330445NSC-2553263-Amino-7-fluoro-1,2,4-benzotriazin-1(7H)-ol
Database identifiers
- CAS
74916-51-1- PubChem CID
- 429460
- DTXSID
DTXSID50330445
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 358
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Compound notes
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