4,5-dihydro-2H-benzo[g]indazol-2-yl(4-methylphenyl)methanone
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Basic information
- CAS
339101-46-1- Standard SMILES
Cc1ccc(C(=O)n2cc3c(n2)-c2ccccc2CC3)cc1- InChIKey
SZISCOKHBPNCQN-UHFFFAOYSA-N- Molecular formula
- C19H16N2O
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.12626314
Names & identifiers
- Preferred name
- 4,5-dihydro-2H-benzo[g]indazol-2-yl(4-methylphenyl)methanone
- IUPAC
- 4,5-dihydrobenzo[g]indazol-2-yl-(4-methylphenyl)methanone
- English name
- 4,5-DIHYDRO-2H-BENZO[G]INDAZOL-2-YL(4-METHYLPHENYL)METHANONE
- Molecular formula
- C19H16N2O
- Molecular weight
- 288.34
Names & synonyms
339101-46-12-(4-methylbenzoyl)-2H,4H,5H-benzo[g]indazole4,5-dihydro-2H-benzo[g]indazol-2-yl(4-methylphenyl)methanone4,5-dihydrobenzo[g]indazol-2-yl-(4-methylphenyl)methanoneOprea1_453818AKOS0051035478L-925Methanone, (4,5-dihydro-2H-benz[g]indazol-2-yl)(4-methylphenyl)-
Database identifiers
- CAS
339101-46-1- PubChem CID
- 3750085
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- Boiling point
- 504.3 · 504.3±58.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- -1.54 · -1.54±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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