9-Chloro-5-(4-nitrophenyl)-2-(2-thienyl)-1,10B-dihydropyrazolo[1,5-C][1,3]benzoxazine
Basic information
- CAS
332062-89-2- Standard SMILES
O=[N+]([O-])c1ccc(C2Oc3ccc(Cl)cc3C3CC(c4cccs4)=NN32)cc1- InChIKey
GKGSSGLMQKJWKT-UHFFFAOYSA-N- Molecular formula
- C20H14ClN3O3S
- Average molar mass
- 411.9 g/mol
- Monoisotopic mass
- 411.0444402
Names & identifiers
- Preferred name
- 9-Chloro-5-(4-nitrophenyl)-2-(2-thienyl)-1,10B-dihydropyrazolo[1,5-C][1,3]benzoxazine
- IUPAC
- 9-chloro-5-(4-nitrophenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
- English name
- 9-chloro-5-(4-nitrophenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
- Molecular formula
- C20H14ClN3O3S
- Molecular weight
- 411.86
Names & synonyms
STK844745AKOS000618820AKOS0252459379-CHLORO-5-(4-NITROPHENYL)-2-(2-THIENYL)-1,10B-DIHYDROPYRAZOLO[1,5-C][1,3]BENZOXAZINE9-chloro-5-(4-nitrophenyl)-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine9-chloro-5-(4-nitrophenyl)-2-(thiophen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazine5H-Pyrazolo[1,5-c][1,3]benzoxazine, 9-chloro-1,10b-dihydro-5-(4-nitrophenyl)-2-(2-thienyl)-9-chloro-5-(4-nitrophenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Database identifiers
- CAS
332062-89-2- PubChem CID
- 3121985
- EC Number
- 159-829-2
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 637
Physicochemical properties
- Boiling point
- 587.4 · 587.4±60.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- 2.8 · 2.80±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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