Phosphoric acid, dimethyl phenyl ester
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Basic information
- CAS
10113-28-7- Standard SMILES
COP(=O)(OC)Oc1ccccc1- InChIKey
XTBBZRRBOAVBRA-UHFFFAOYSA-N- Molecular formula
- C8H11O4P
- Average molar mass
- 202.14 g/mol
- Monoisotopic mass
- 202.03949583
Names & identifiers
- Preferred name
- Phosphoric acid, dimethyl phenyl ester
- IUPAC
- dimethyl phenyl phosphate
- English name
- TRIS(PHENYL,METHYLPHENYL,ETHYLPHENYLANDNONYLPHENYL)PHOSPHATE
- Molecular formula
- C8H11O4P
- Molecular weight
- 202.14
Names & synonyms
10113-28-7Phosphoric acid, dimethyl phenyl esterDTXSID20143746RefChem:1095405DTXCID1066237Dimethyl phenyl phosphatePhenyl dimethyl phosphateSofosbuvir Impurity 78TRIS(PHENYL,METHYLPHENYL,ETHYLPHENYLANDNONYLPHENYL)PHOSPHATEPhosphoric acid dimethylphenyl esterPhosphoric acid phenyl=dimethyl esterPhosphoric acid dimethyl(phenyl) ester
Show more names
SCHEMBL1725920CHEMBL3249281XTBBZRRBOAVBRA-UHFFFAOYSA-NMSK171624-100BDB-130512G80038F555911Dimethyl phenyl phosphate Solution in Acetone, 100ug/mL
Database identifiers
- CAS
10113-28-7- PubChem CID
- 82355
- DTXSID
DTXSID20143746- ChEMBL
CHEMBL3249281- Nikkaji
- J371.868I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Experimental & physicochemical properties
LogP1.22
Physicochemical properties
- Boiling point
- 155 · 155-158 °C(Press: 13 Torr)
- Density
- 1.211 · 1.211±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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