Basic information
- CAS
69382-24-7- Standard SMILES
CCOP(=O)(OCC)C(OC(=O)C(C)C)C(Cl)(Cl)Cl- InChIKey
AQESKIHROCBQOG-UHFFFAOYSA-N- Molecular formula
- C10H18Cl3O5P
- Average molar mass
- 355.6 g/mol
- Monoisotopic mass
- 353.995744
Names & identifiers
- Preferred name
- 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 2-methylpropanoate
- IUPAC
- (2,2,2-trichloro-1-diethoxyphosphorylethyl) 2-methylpropanoate
- English name
- Phosphoric acid diethyl 1-(isobutyryloxy)-2,2,2-trichloroethyl ester
- Molecular weight
- 0
Names & synonyms
69382-24-7DTXSID909891932,2,2-trichloro-1-(diethoxyphosphoryl)ethyl 2-methylpropanoateRefChem:1058933DTXCID401416323BRN 1813545Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, diethyl ester, isobutyrateO,O-Diethyl 2,2,2-trichloro-1-isobutyryloxyethyl phosphonateISOBUTYRIC ACID, ESTER with DIETHYL (2,2,2-TRICHLORO-1-HYDROXYETHYL)PHOSPHONATEPropionic acid, 2-methyl-, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonatePhosphoric acid diethyl 1-(isobutyryloxy)-2,2,2-trichloroethyl ester
Database identifiers
- CAS
69382-24-7- PubChem CID
- 50488
- DTXSID
DTXSID90989193
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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