Basic information
- CAS
109086-73-9- Standard SMILES
O=[N+]([O-])c1ccc(C2NCCCO2)cc1- InChIKey
FIQVQZQYMKTLKR-UHFFFAOYSA-N- Molecular formula
- C10H12N2O3
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.08479225
Names & identifiers
- Preferred name
- 2-(4-Nitrophenyl)-1,3-oxazinane
- IUPAC
- 2-(4-nitrophenyl)-1,3-oxazinane
Names & synonyms
2-(4-Nitrophenyl)-1,3-oxazinane109086-73-9DTXSID80344373RefChem:252754DTXCID90295448FIQVQZQYMKTLKR-UHFFFAOYSA-N2-(4-Nitrophenyl)-1,3-oxazinane #1,3-Oxazine, tetrahydro-2-(4-nitrophenyl)-
Database identifiers
- CAS
109086-73-9- PubChem CID
- 596290
- DTXSID
DTXSID80344373- Nikkaji
- J2.196.178G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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