2-Phenoxy-1,3,3a,4,5,6,7,7a-octahydrobenzo[d][1,3,2]diazaphosphole 2-oxide
Basic information
- CAS
84957-77-7- Standard SMILES
O=P1(Oc2ccccc2)NC2CCCCC2N1- InChIKey
AIMLYWWZRAQIGE-UHFFFAOYSA-N- Molecular formula
- C12H17N2O2P
- Average molar mass
- 252.25 g/mol
- Monoisotopic mass
- 252.10276479
Names & identifiers
- Preferred name
- 2-Phenoxy-1,3,3a,4,5,6,7,7a-octahydrobenzo[d][1,3,2]diazaphosphole 2-oxide
- IUPAC
- 2-phenoxy-1,3,3a,4,5,6,7,7a-octahydrobenzo[d][1,3,2]diazaphosphole 2-oxide
Names & synonyms
84957-77-7NSC3676032-phenoxy-1,3,3a,4,5,6,7,7a-octahydrobenzo[d][1,3,2]diazaphosphole 2-oxideDTXSID80320990NSC-3676032-Phenoxyoctahydro-1H-1,3,2lambda~5~-benzodiazaphosphol-2-one
Database identifiers
- CAS
84957-77-7- PubChem CID
- 339762
- DTXSID
DTXSID80320990
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 300
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Compound notes
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