Basic information
- CAS
63950-92-5- Standard SMILES
CCCCC(CC)COP(=O)(OCC(CC)CCCC)C(O)C(Cl)(Cl)Cl- InChIKey
NWWFRGOWPLIWNG-UHFFFAOYSA-N- Molecular formula
- C18H36Cl3O4P
- Average molar mass
- 453.8 g/mol
- Monoisotopic mass
- 452.14168
Names & identifiers
- Preferred name
- Ethanephosphonic acid, 2,2,2-trichloro-1-hydroxy-, bis(2-ethylhexyl) ester
- IUPAC
- 1-[bis(2-ethylhexoxy)phosphoryl]-2,2,2-trichloroethanol
- English name
- (2,2,2-Trichloro-1-hydroxyethyl)phosphonic acid bis(2-ethylhexyl) ester
- Molecular formula
- C18H36Cl3O4P
- Molecular weight
- 453.81
Names & synonyms
63950-92-5Ethanephosphonic acid, 2,2,2-trichloro-1-hydroxy-, bis(2-ethylhexyl) esterRefChem:1084371BRN 2474477Bis(2-ethylhexyl) 2,2,2-trichloro-1-hydroxyethanephosphonateNSC75268DTXSID30981292bis(2-ethylhexyl) (2,2,2-trichloro-1-hydroxyethyl)phosphonateNSC 75268NSC-75268(2,2,2-Trichloro-1-hydroxyethyl)phosphonic acid bis(2-ethylhexyl) esterDB-309686
Show more names
Reaxys ID: 2474477Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, bis(2-ethylhexyl) ester (9CI)
Phosphonic acid,2,2-trichloro-1-hydroxyethyl)-, bis(2-ethylhexyl) ester
Database identifiers
- CAS
63950-92-5- PubChem CID
- 96459
- DTXSID
DTXSID30981292- Nikkaji
- J77.450B
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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