Basic information
- CAS
54436-50-9- Standard SMILES
CCOP(=O)(OCC)Oc1cc(C)c(C#N)c(C)c1- InChIKey
LEJMBEYFSGEQQB-UHFFFAOYSA-N- Molecular formula
- C13H18NO4P
- Average molar mass
- 283.26 g/mol
- Monoisotopic mass
- 283.09734505
Names & identifiers
- Preferred name
- 4-Cyano-3,5-dimethylphenyl diethyl phosphate
- IUPAC
- (4-cyano-3,5-dimethylphenyl) diethyl phosphate
Names & synonyms
4-cyano-3,5-dimethylphenyl diethyl phosphate54436-50-9NSC132991DTXSID00299816NSC-132991
Database identifiers
- CAS
54436-50-9- PubChem CID
- 280820
- DTXSID
DTXSID00299816
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 68.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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