3-Phospholene, 3,4-dimethyl-1-(p-nitrophenoxy)-, 1-oxide
Basic information
- CAS
25133-56-6- Standard SMILES
CC1=C(C)CP(=O)(Oc2ccc([N+](=O)[O-])cc2)C1- InChIKey
YWIXYMZRAFRMKF-UHFFFAOYSA-N- Molecular formula
- C12H14NO4P
- Average molar mass
- 267.22 g/mol
- Monoisotopic mass
- 267.06604493
Names & identifiers
- Preferred name
- 3-Phospholene, 3,4-dimethyl-1-(p-nitrophenoxy)-, 1-oxide
- IUPAC
- 3,4-dimethyl-1-(4-nitrophenoxy)-2,5-dihydro-1λ5-phosphole 1-oxide
Names & synonyms
BRN 099726925133-56-63-Phospholene, 3,4-dimethyl-1-(p-nitrophenoxy)-, 1-oxide1-Oxo-1-(para-nitrophenoxy)-3,4-dimethyl-3-phospholeneDTXSID50179816RefChem:281871DTXCID101023073,4-Dimethyl-1-(4-nitrophenoxy)-2,5-dihydro-1H-1lambda~5~-phosphol-1-one
Database identifiers
- CAS
25133-56-6- PubChem CID
- 212843
- DTXSID
DTXSID50179816- Nikkaji
- J85.598G
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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