3-Phenyl-5H-indeno[1,2-c]pyridazin-5-one
Basic information
- CAS
77152-22-8- Standard SMILES
O=C1c2ccccc2-c2nnc(-c3ccccc3)cc21- InChIKey
ORLUBUYLVCUFDE-UHFFFAOYSA-N- Molecular formula
- C17H10N2O
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.07931295
Names & identifiers
- Preferred name
- 3-Phenyl-5H-indeno[1,2-c]pyridazin-5-one
- IUPAC
- 3-phenylindeno[1,2-c]pyridazin-5-one
- English name
- 3-Phenyl-5H-indeno[1,2-c]pyridazin-5-one
- Molecular formula
- C17H10N2O
- Molecular weight
- 258.27
Names & synonyms
3-Phenyl-5H-indeno[1,2-c]pyridazin-5-one77152-22-83-phenylindeno[1,2-c]pyridazin-5-oneGNF-PF-2307NSC663883RN69YUV5AVNSC-663883KLB-7CHEMBL4210883-Phenyl-5H-indeno(1,2-C)pyridazin-5-one5H-Indeno(1,2-C)pyridazin-5-one, 3-phenyl-5H-Indeno[1,2-c]pyridazin-5-one, 3-phenyl-
Show more names
UNII-RN69YUV5AVOprea1_571099MLS000539984cid_379337Aza-heterocyclic Derivative, 1bBDBM19164DTXSID40327521HMS2177H12
Database identifiers
- CAS
77152-22-8- PubChem CID
- 379337
- DTXSID
DTXSID40327521- ChEMBL
CHEMBL421088- UNII
- RN69YUV5AV
- Nikkaji
- J519.837B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Melting point
- 216 °C · 216 °C
- Boiling point
- 553.9 · 553.9±29.0 °C(Predicted)
- Density
- 1.313 · 1.313±0.06 g/cm3(Predicted)
- pka
- -0.55 · -0.55±0.20(Predicted)
- FDA UNII
- 69 YUV5AV · RN69YUV5AV
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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