Basic information
- CAS
65440-58-6- Standard SMILES
O=P(OCC(O)CO)(OC(CO)CCl)C(CCl)CCl- InChIKey
XFZORMIVROIDCC-UHFFFAOYSA-N- Molecular formula
- C9H18Cl3O6P
- Average molar mass
- 359.6 g/mol
- Monoisotopic mass
- 357.990658
Names & identifiers
- Preferred name
- Phosphonic acid, [2-chloro-1-(chloromethyl)ethyl]-, 2-chloro-1-(hydroxymethyl)ethyl 2,3-dihydroxypropyl ester
- IUPAC
- 3-[(1-chloro-3-hydroxypropan-2-yl)oxy-(1,3-dichloropropan-2-yl)phosphoryl]oxypropane-1,2-diol
Names & synonyms
DTXSID40110879065440-58-6Phosphonic acid, [2-chloro-1-(chloromethyl)ethyl]-, 2-chloro-1-(hydroxymethyl)ethyl 2,3-dihydroxypropyl ester
Database identifiers
- CAS
65440-58-6- PubChem CID
- 165367441
- DTXSID
DTXSID401108790
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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