Basic information
- CAS
95458-82-5- Standard SMILES
CCOP(=O)(OCC)OCc1ccc(Cl)cc1- InChIKey
OAYWHBIVRKFUJQ-UHFFFAOYSA-N- Molecular formula
- C11H16ClO4P
- Average molar mass
- 278.67 g/mol
- Monoisotopic mass
- 278.0474733
Names & identifiers
- Preferred name
- 4-Chlorobenzyl diethyl phosphate
- IUPAC
- (4-chlorophenyl)methyl diethyl phosphate
Names & synonyms
4-chlorobenzyl diethyl phosphate(4-chlorophenyl)methyl diethyl phosphate95458-82-5diethyl 4-chlorobenzyl phosphateSCHEMBL1242447DTXSID10460994OAYWHBIVRKFUJQ-UHFFFAOYSA-N
Database identifiers
- CAS
95458-82-5- PubChem CID
- 11277438
- DTXSID
DTXSID10460994- Nikkaji
- J1.972.714I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 244
Related reactions
6 records
Compound notes
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