2-(4-Nitrophenyl)-4,7-dihydro-1,3-oxazepine
Basic information
- CAS
17659-07-3- Standard SMILES
O=[N+]([O-])c1ccc(C2=NCC=CCO2)cc1- InChIKey
ZACOHSSINHMROS-UHFFFAOYSA-N- Molecular formula
- C11H10N2O3
- Average molar mass
- 218.21 g/mol
- Monoisotopic mass
- 218.06914219
Names & identifiers
- Preferred name
- 2-(4-Nitrophenyl)-4,7-dihydro-1,3-oxazepine
- IUPAC
- 2-(4-nitrophenyl)-4,7-dihydro-1,3-oxazepine
Names & synonyms
17659-07-32-(4-nitrophenyl)-4,7-dihydro-1,3-oxazepineNSC129215DTXSID40299294NSC-1292152-(4-nitrophenyl)-4,7-dihydro-[1,3]oxazepine
Database identifiers
- CAS
17659-07-3- PubChem CID
- 279059
- DTXSID
DTXSID40299294
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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