Basic information
- CAS
64134-85-6- Standard SMILES
CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1cc([N+](=O)[O-])ccc1O- InChIKey
WLKCLBNDZLXNPP-UHFFFAOYSA-N- Molecular formula
- C16H13N5O7S
- Average molar mass
- 419.4 g/mol
- Monoisotopic mass
- 419.05356894
Names & identifiers
- Preferred name
- 4-[4,5-Dihydro-4-[2-(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid
- IUPAC
- 4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
Names & synonyms
DTXSID7011101344-[4,5-Dihydro-4-[2-(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid64134-85-6
Database identifiers
- CAS
64134-85-6- PubChem CID
- 110830
- DTXSID
DTXSID701110134- EC Number
- 613-474-4
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 810
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…