Basic information
- CAS
883795-21-9- Standard SMILES
Clc1ccc2c(c1)C1CC(c3ccccc3)=NN1C(c1ccccc1Br)O2- InChIKey
UDAWBTGUIFEASQ-UHFFFAOYSA-N- Molecular formula
- C22H16BrClN2O
- Average molar mass
- 439.7 g/mol
- Monoisotopic mass
- 438.01345
Names & identifiers
- Preferred name
- 5-(2-Bromophenyl)-9-chloro-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
- IUPAC
- 5-(2-bromophenyl)-9-chloro-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
- English name
- 4-(2-Br-Ph)-8-Cl-2-phenyl-1,9b-dihydro-5-oxa-3,3a-diaza-cyclopenta(a)naphthalene
- Molecular weight
- 0
Names & synonyms
Oprea1_378934STL191864AKOS0244212834-(2-BR-PH)-8-CL-2-PHENYL-1,9B-DIHYDRO-5-OXA-3,3A-DIAZA-CYCLOPENTA(A)NAPHTHALENE5-(2-bromophenyl)-9-chloro-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Database identifiers
- CAS
883795-21-9- PubChem CID
- 4094064
- EC Number
- 153-324-0
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 567
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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