2-(4-BR-PH)-8-CL-4-Isopropyl-1,9B-2H-5-oxa-3,3A-diaza-cyclopenta(A)naphthalene
Basic information
- CAS
883794-73-8- Standard SMILES
CC(C)C1Oc2ccc(Cl)cc2C2CC(c3ccc(Br)cc3)=NN21- InChIKey
QHNQNUOKROZDAD-UHFFFAOYSA-N- Molecular formula
- C19H18BrClN2O
- Average molar mass
- 405.7 g/mol
- Monoisotopic mass
- 404.0291
Names & identifiers
- Preferred name
- 2-(4-BR-PH)-8-CL-4-Isopropyl-1,9B-2H-5-oxa-3,3A-diaza-cyclopenta(A)naphthalene
- IUPAC
- 2-(4-bromophenyl)-9-chloro-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
- English name
- 2-(4-Br-Ph)-8-Cl-4-isopropyl-1,9b-2H-5-oxa-3,3a-diaza-cyclopenta(a)naphthalene
- Molecular formula
- C19H18BrClN2O
- Molecular weight
- 405.72
Names & synonyms
STL191836AKOS0244212742-(4-BR-PH)-8-CL-4-ISOPROPYL-1,9B-2H-5-OXA-3,3A-DIAZA-CYCLOPENTA(A)NAPHTHALENE2-(4-bromophenyl)-9-chloro-5-(propan-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine5H-Pyrazolo[1,5-c][1,3]benzoxazine, 2-(4-bromophenyl)-9-chloro-1,10b-dihydro-5-(1-methylethyl)-
Database identifiers
- CAS
883794-73-8- PubChem CID
- 3264709
- EC Number
- 153-246-7
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 492
Physicochemical properties
- Boiling point
- 476.416 · 476.416±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.522 · 1.522±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.514 · 3.514±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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