Basic information
- CAS
25506-06-3- Standard SMILES
O=c1[nH]nc(-c2ccccc2)c2conc12- InChIKey
GXRAZEHWDPPKRU-UHFFFAOYSA-N- Molecular formula
- C11H7N3O2
- Average molar mass
- 213.19 g/mol
- Monoisotopic mass
- 213.05382648
Names & identifiers
- Preferred name
- Isoxazolo(3,4-d)pyridazin-7(6H)-one, 4-phenyl-
- IUPAC
- 4-phenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
- English name
- 4-Phenylisoxazolo[3,4-d]pyridazin-7(6H)-one
- Molecular formula
- C11H7N3O2
- Molecular weight
- 213.19
Names & synonyms
BRN 111762225506-06-3ISOXAZOLO(3,4-d)PYRIDAZIN-7(6H)-ONE, 4-PHENYL-4-Phenylisoxazolo(3,4-d)pyridazin-7(6H)-one4-Fenilisossazalo(3,4-d)piridazin-7-one [Italian]4-Fenilisossazalo(3,4-d)piridazin-7-oneDTXSID00180199RefChem:350277DTXCID60102690SCHEMBL4058736GXRAZEHWDPPKRU-UHFFFAOYSA-N4-phenyl-6H-isoxazolo[3,4-d]pyridazin-7-one
Show more names
4-Phenylisoxazolo[3,4-d]pyridazin-7(6H)-oneIsoxazolo[3,4-d]pyridazin-7(6H)-one, 4-phenyl-
4-Phenyl[1,2]oxazolo[3,4-d]pyridazin-7(6H)-one
Database identifiers
- CAS
25506-06-3- PubChem CID
- 33029
- DTXSID
DTXSID00180199- Nikkaji
- J96.756D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- 10.45 · 10.45±0.40(Predicted)
Related reactions
1 records
Compound notes
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