3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, perchlorate (1:1)
Basic information
- CAS
20776-03-8- Standard SMILES
Cc1cc(=O)n(-c2ccccc2)n1C.[O-][Cl+3]([O-])([O-])O- InChIKey
PIKBDZMATGLGQA-UHFFFAOYSA-N- Molecular formula
- C11H13ClN2O5
- Average molar mass
- 288.68 g/mol
- Monoisotopic mass
- 288.0512992
Names & identifiers
- Preferred name
- 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, perchlorate (1:1)
- IUPAC
- 1,5-dimethyl-2-phenylpyrazol-3-one;perchloric acid
Names & synonyms
3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, perchlorate (1:1)RefChem:5057723H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, monoperchlorate20776-03-8Antipyrine, monoperchlorateAntipyrine monoperchlorateDTXSID1066653PIKBDZMATGLGQA-UHFFFAOYSA-NPerchloric acid--1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (1/1)
Database identifiers
- CAS
20776-03-8- PubChem CID
- 88690
- DTXSID
DTXSID1066653
Properties
Computed structural properties
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 380
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, perchlorate (1:1): INACTIVE
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Related reactions
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Compound notes
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