4-Chloro-2-[9-chloro-2-(2-furyl)-1,10B-dihydropyrazolo[1,5-C][1,3]benzoxazin-5-YL]phenol
Basic information
- CAS
883801-21-6- Standard SMILES
Oc1ccc(Cl)cc1C1Oc2ccc(Cl)cc2C2CC(c3ccco3)=NN21- InChIKey
IUKUBAILIDRNDQ-UHFFFAOYSA-N- Molecular formula
- C20H14Cl2N2O3
- Average molar mass
- 401.2 g/mol
- Monoisotopic mass
- 400.0381477
Names & identifiers
- Preferred name
- 4-Chloro-2-[9-chloro-2-(2-furyl)-1,10B-dihydropyrazolo[1,5-C][1,3]benzoxazin-5-YL]phenol
- IUPAC
- 4-chloro-2-[9-chloro-2-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
Names & synonyms
AKOS0244219184-CHLORO-2-[9-CHLORO-2-(2-FURYL)-1,10B-DIHYDROPYRAZOLO[1,5-C][1,3]BENZOXAZIN-5-YL]PHENOL
Database identifiers
- CAS
883801-21-6- PubChem CID
- 4549686
- EC Number
- 162-789-9
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 592
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