Basic information
- CAS
113348-33-7- Standard SMILES
CCOP(=O)(OCC)OC(C#N)c1ccc(Cl)cc1- InChIKey
XDZIXECRNKWTMY-UHFFFAOYSA-N- Molecular formula
- C12H15ClNO4P
- Average molar mass
- 303.68 g/mol
- Monoisotopic mass
- 303.0427227
Names & identifiers
- Preferred name
- Phosphoric acid, (4-chlorophenyl)cyanomethyl diethyl ester
- IUPAC
- [(4-chlorophenyl)-cyanomethyl] diethyl phosphate
Names & synonyms
113348-33-7Phosphoric acid, (4-chlorophenyl)cyanomethyl diethyl esterDTXSID10469967(4-Chlorophenyl)(cyano)methyl diethyl phosphate
Database identifiers
- CAS
113348-33-7- PubChem CID
- 11645155
- DTXSID
DTXSID10469967- Nikkaji
- J2.284.269B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 68.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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