p-Chlorophenacyl p-nitrophenyl methylphosphonate
Basic information
- CAS
21070-23-5- Standard SMILES
CP(=O)(OCC(=O)c1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1- InChIKey
CNYZNXDOUMMOLA-UHFFFAOYSA-N- Molecular formula
- C15H13ClNO6P
- Average molar mass
- 369.69 g/mol
- Monoisotopic mass
- 369.0169018
Names & identifiers
- Preferred name
- p-Chlorophenacyl p-nitrophenyl methylphosphonate
- IUPAC
- 1-(4-chlorophenyl)-2-[methyl-(4-nitrophenoxy)phosphoryl]oxyethanone
- English name
- 1-(4-chlorophenyl)-2-[methyl-(4-nitrophenoxy)phosphoryl]oxy-ethanone
- Molecular formula
- C15H13ClNO6P
- Molecular weight
- 369.69
Names & synonyms
21070-23-5p-Chlorophenacyl p-nitrophenyl methylphosphonateRefChem:10941711-(4-CHLOROPHENYL)-2-[METHYL-(4-NITROPHENOXY)PHOSPHORYL]OXY-ETHANONEBRN 2178210SCHEMBL9316353DTXSID50943377Phosphonic acid, methyl-, p-chlorophenacyl p-nitrophenyl ester2-(4-CHLOROPHENYL)-2-OXOETHYL 4-NITROPHENYL METHYLPHOSPHONATEPhosphonic acid, methyl-, p-nitrophenyl ester, ester with 4'-chloro-2-hydroxyacetophenoneMethylphosphonic acid 2-(p-chlorophenyl)-2-oxoethyl p-nitrophenyl esterPhosphonic acid, methyl-, 2-(4-chlorophenyl)-2-oxoethyl 4-nitrophenyl ester (9CI)
Database identifiers
- CAS
21070-23-5- PubChem CID
- 88775
- DTXSID
DTXSID50943377- Nikkaji
- J50.296K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 495
Physicochemical properties
- Boiling point
- 537.2 · 537.2±50.0 °C(Predicted)
- Density
- 1.42 · 1.420±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…