5-Chloro-7-nitro-3,3-diphenyl-4,1,2-benzoxadiazine
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Basic information
- CAS
109502-94-5- Standard SMILES
O=[N+]([O-])c1cc(Cl)c2c(c1)N=NC(c1ccccc1)(c1ccccc1)O2- InChIKey
ZDRWWPCUZKFBMP-UHFFFAOYSA-N- Molecular formula
- C19H12ClN3O3
- Average molar mass
- 365.8 g/mol
- Monoisotopic mass
- 365.0567189
Names & identifiers
- Preferred name
- 5-Chloro-7-nitro-3,3-diphenyl-4,1,2-benzoxadiazine
- IUPAC
- 5-chloro-7-nitro-3,3-diphenyl-4,1,2-benzoxadiazine
- English name
- 5-chloro-7-nitro-3,3-diphenyl-3H-4,1,2-benzoxadiazine
- Molecular formula
- C19H12ClN3O3
- Molecular weight
- 365.76988
Names & synonyms
5-chloro-7-nitro-3,3-diphenyl-3H-4,1,2-benzoxadiazine5-chloro-7-nitro-3,3-diphenyl-4,1,2-benzoxadiazineAE-842/33003058
Database identifiers
- CAS
109502-94-5- PubChem CID
- 3565941
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 523
Related reactions
0 records
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Compound notes
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