4-Nitrophenyl 2-oxo-2-phenylethyl methylphosphonate
Basic information
- CAS
6203-26-5- Standard SMILES
CP(=O)(OCC(=O)c1ccccc1)Oc1ccc([N+](=O)[O-])cc1- InChIKey
PQQWAAAVUDFJOF-UHFFFAOYSA-N- Molecular formula
- C15H14NO6P
- Average molar mass
- 335.25 g/mol
- Monoisotopic mass
- 335.05587416
Names & identifiers
- Preferred name
- 4-Nitrophenyl 2-oxo-2-phenylethyl methylphosphonate
- IUPAC
- 2-[methyl-(4-nitrophenoxy)phosphoryl]oxy-1-phenylethanone
- English name
- Methylphosphonic acid 4-nitrophenyl 2-oxo-2-phenylethyl ester
- Molecular formula
- C15H14NO6P
- Molecular weight
- 335.25
Names & synonyms
4-nitrophenyl 2-oxo-2-phenylethyl methylphosphonate6203-26-5DTXSID50977571RefChem:1071300DTXCID801404916Phosphonic acid, methyl-, p-nitrophenyl phenacyl esterp-Nitrophenyl phenacyl methylphosphonateBRN 2170807Phosphonic acid, methyl-, p-nitrophenyl ester, ester with 2-hydroxyacetophenoneCHEMBL48326SCHEMBL9316427Methylphosphonic acid 4-nitrophenyl 2-oxo-2-phenylethyl ester
Show more names
Phosphonic acid, methyl-, 4-nitrophenyl 2-oxo-2-phenylethyl ester (9CI)
Database identifiers
- CAS
6203-26-5- PubChem CID
- 80336
- DTXSID
DTXSID50977571- ChEMBL
CHEMBL48326- Nikkaji
- J50.297I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 463
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Related reactions
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Compound notes
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