Basic information
- CAS
69298-90-4- Standard SMILES
COP(=O)(OC)C(OC(O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl- InChIKey
HZGOLOSDLOADOX-UHFFFAOYSA-N- Molecular formula
- C6H9Cl6O5P
- Average molar mass
- 404.8 g/mol
- Monoisotopic mass
- 401.831877
Names & identifiers
- Preferred name
- Phosphonic acid, (1-(1-hydroxy-2,2,2-trichloroethoxy)-2,2,2-trichloroethyl)-, dimethyl ester
- IUPAC
- 2,2,2-trichloro-1-(2,2,2-trichloro-1-dimethoxyphosphorylethoxy)ethanol
- English name
- 2,2,2-trichloro-1-(2,2,2-trichloro-1-hydroxyethoxy)ethyl phosphonate
- Molecular weight
- 0
Names & synonyms
69298-90-4JGS9GT5MLLtrichlorfonchloral hemiacetalPhosphonic acid, (1-(1-hydroxy-2,2,2-trichloroethoxy)-2,2,2-trichloroethyl)-, dimethyl esterDimethyl [2,2,2-trichloro-1-(2,2,2-trichloro-1-hydroxyethoxy)ethyl]phosphonateTrichlorfon-chloral hemiacetalBRN 2140607UNII-JGS9GT5MLLTrichlorfon chloral hemiacetalDTXSID209890202,2,2-Trichloro-1-(2,2,2-trichloro-1-hydroxyethoxy)ethyl phosphonateDimethyl 2,2,2-trichloro-1-(2,2,2-trichloro-1-hydroxyethoxy)ethylphosphonate
Show more names
(1-(1-Hydroxy-2,2,2-trichloroethoxy)-2,2,2-trichloroethyl)phosphonic acid, dimethyl esterQ27281498PHOSPHONIC ACID, (2,2,2-TRICHLORO-1-(2,2,2-TRICHLORO-1-HYDROXYETHOXY)ETHYL)-, DIMETHYL ESTERPhosphonic acid, P-[2,2,2-trichloro-1-(2,2,2-trichloro-1-hydroxyethoxy)ethyl]-, dimethyl ester
Database identifiers
- CAS
69298-90-4
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- FDA UNII
- 9 GT5MLL · JGS9GT5MLL
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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