Basic information
- CAS
61090-94-6- Standard SMILES
COP(=O)(OC)Oc1ccc(C#N)cc1- InChIKey
UYPOZCXBRKUQSO-UHFFFAOYSA-N- Molecular formula
- C9H10NO4P
- Average molar mass
- 227.15 g/mol
- Monoisotopic mass
- 227.0347448
Names & identifiers
- Preferred name
- 4-Cyanophenyl dimethyl phosphate
- IUPAC
- (4-cyanophenyl) dimethyl phosphate
- English name
- Cyanophos-oxon
- Molecular formula
- C9H10NO4P
- Molecular weight
- 227.15
Names & synonyms
4-cyanophenyl dimethyl phosphate61090-94-6Phosphoric acid, dimethyl ester, ester with p-hydroxybenzonitrileDTXSID70209967RefChem:1070549DTXCID20132458Dimethyl 4-cyano-phenyl phosphateCYANOPHOS-OXONp-Cyanophenyl dimethyl phosphatePhosphoric acid, 4-cyanophenyl dimethyl esterBRN 2695900CHEMBL2271088
Show more names
Phosphoric acid dimethyl(4-cyanophenyl) esterPhosphoric acid O,O-dimethyl O-[4-cyanophenyl] ester
SCHEMBL17445283UYPOZCXBRKUQSO-UHFFFAOYSA-N
Database identifiers
- CAS
61090-94-6- PubChem CID
- 43545
- DTXSID
DTXSID70209967- ChEMBL
CHEMBL2271088- Nikkaji
- J371.877H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 68.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 282
Experimental & physicochemical properties
LogP0.84
Physicochemical properties
- Boiling point
- 144 · 144-145 °C(Press: 0.7 Torr)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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