Basic information
- CAS
519149-55-4- Standard SMILES
O=C1c2ccccc2-c2nn(C(=O)c3ccc(Cl)cc3)c3cccc1c23- InChIKey
OGKKGIPXCLHXKH-UHFFFAOYSA-N- Molecular formula
- C21H11ClN2O2
- Average molar mass
- 358.8 g/mol
Names & identifiers
- Preferred name
- 2-(4-chlorobenzoyl)dibenzo[cd,g]indazol-6(2H)-one
- IUPAC
- 14-(4-chlorobenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
- English name
- 2-(4-chlorobenzoyl)dibenzo[cd,g]indazol-6(2H)-one
- Molecular formula
- C21H11ClN2O2
- Molecular weight
- 358.78
Names & synonyms
2-(4-chlorobenzoyl)dibenzo[cd,g]indazol-6(2H)-oneAKOS001012859AQ-390/43238194Z5683662014-(4-chlorobenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-oneAnthra[1,9-cd]pyrazol-6(2H)-one, 2-(4-chlorobenzoyl)- (9CI)
Database identifiers
- CAS
519149-55-4
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 589
Physicochemical properties
- Boiling point
- 614.8 · 614.8±57.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- -4.42 · -4.42±0.20(Predicted)
Chemistry & industry
Suppliers2 total
OTAVA-BB[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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