3-Methyl-1-(4-nitrophenoxy)-2,5-dihydro-1H-1lambda~5~-phosphol-1-one
Basic information
- CAS
25156-79-0- Standard SMILES
CC1=CCP(=O)(Oc2ccc([N+](=O)[O-])cc2)C1- InChIKey
VQKYYPZWUJHVGU-UHFFFAOYSA-N- Molecular formula
- C11H12NO4P
- Average molar mass
- 253.19 g/mol
- Monoisotopic mass
- 253.05039486
Names & identifiers
- Preferred name
- 3-Methyl-1-(4-nitrophenoxy)-2,5-dihydro-1H-1lambda~5~-phosphol-1-one
- IUPAC
- 3-methyl-1-(4-nitrophenoxy)-2,5-dihydro-1λ5-phosphole 1-oxide
Names & synonyms
25156-79-0DTXSID609480153-Methyl-1-(4-nitrophenoxy)-2,5-dihydro-1H-1lambda~5~-phosphol-1-oneRefChem:1068169DTXCID501376261BRN 09936911-Oxo-1-(para-nitrophenoxy)-3-methyl-3-phospholene3-Phospholene, 3-methyl-1-(p-nitrophenoxy)-, 1-oxide
Database identifiers
- CAS
25156-79-0- PubChem CID
- 212850
- DTXSID
DTXSID60948015- Nikkaji
- J85.607J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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