4-Phenyl-3,4-dihydrophthalazin-1(2h)-one
Basic information
- CAS
5004-44-4- Standard SMILES
O=C1NNC(c2ccccc2)c2ccccc21- InChIKey
AUJMOIDYBYCZKW-UHFFFAOYSA-N- Molecular formula
- C14H12N2O
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.09496301
Names & identifiers
- Preferred name
- 4-Phenyl-3,4-dihydrophthalazin-1(2h)-one
- IUPAC
- 4-phenyl-3,4-dihydro-2H-phthalazin-1-one
Names & synonyms
4-phenyl-3,4-dihydrophthalazin-1(2h)-one5004-44-4DTXSID00285330RefChem:295467DTXCID80236481NSC41383NSC-41383
Database identifiers
- CAS
5004-44-4- PubChem CID
- 237677
- DTXSID
DTXSID00285330
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 286
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Compound notes
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