2-hydroxy-5-(4H-1,2,4-triazol-3-yldiazenyl)benzoic acid
Basic information
- CAS
53003-94-4- Standard SMILES
O=C(O)c1cc(N=Nc2ncn[nH]2)ccc1O- InChIKey
RPYASWUZCFPBJY-UHFFFAOYSA-N- Molecular formula
- C9H7N5O3
- Average molar mass
- 233.18 g/mol
- Monoisotopic mass
- 233.0548891
Names & identifiers
- Preferred name
- 2-hydroxy-5-(4H-1,2,4-triazol-3-yldiazenyl)benzoic acid
- IUPAC
- 2-hydroxy-5-(1H-1,2,4-triazol-5-yldiazenyl)benzoic acid
Names & synonyms
53003-94-4NSC206208AKOS024366038NSC-206208ST509993712-hydroxy-5-(4H-1,2,4-triazol-3-yldiazenyl)benzoic acid
Database identifiers
- CAS
53003-94-4- PubChem CID
- 307888
- Nikkaji
- J3.416.544K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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