Basic information
- CAS
20352-64-1- Standard SMILES
CC1=NN(c2ccccc2)C(=O)C1N=Nc1cc([N+](=O)[O-])cc(S(=O)(=O)O)c1O- InChIKey
VINQJSLQXMWMAD-UHFFFAOYSA-N- Molecular formula
- C16H13N5O7S
- Average molar mass
- 419.4 g/mol
- Monoisotopic mass
- 419.05356894
Names & identifiers
- Preferred name
- C.I. Mordant Orange 29
- IUPAC
- 2-hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-5-nitrobenzenesulfonic acid
Names & synonyms
C.I. Mordant Orange 29DTXSID601020314NS000408532-Hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]-5-nitrobenzene-1-sulfonic acid
Database identifiers
- CAS
20352-64-1- PubChem CID
- 111145
- DTXSID
DTXSID601020314- Nikkaji
- J358.820C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 812
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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