Basic information
- CAS
7215-05-6- Standard SMILES
O=[N+]([O-])c1ccc(C2CNC2)cc1- InChIKey
WRVMABYGCICGSS-UHFFFAOYSA-N- Molecular formula
- C9H10N2O2
- Average molar mass
- 178.19 g/mol
- Monoisotopic mass
- 178.07422757
Names & identifiers
- Preferred name
- 3-(4-Nitrophenyl)azetidine
- IUPAC
- 3-(4-nitrophenyl)azetidine
Names & synonyms
3-(4-nitrophenyl)azetidine7215-05-6AZETIDINE, 3-(p-NITROPHENYL)-3-(p-Nitrophenyl)azetidineL 2407BRN 1428021SCHEMBL38658160DTXSID70222474GS0573MFCD01665441SY279694EN300-1828704
Database identifiers
- CAS
7215-05-6- PubChem CID
- 23623
- DTXSID
DTXSID70222474- Nikkaji
- J84.706B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…