Dibutyl (2,2-dichloro-1-dibutoxyphosphorylethenyl) phosphate
Basic information
- CAS
25196-08-1- Standard SMILES
CCCCOP(=O)(OCCCC)OC(=C(Cl)Cl)P(=O)(OCCCC)OCCCC- InChIKey
NWDUFKXWAKCCLM-UHFFFAOYSA-N- Molecular formula
- C18H36Cl2O7P2
- Average molar mass
- 497.3 g/mol
- Monoisotopic mass
- 496.1313329
Names & identifiers
- Preferred name
- Dibutyl (2,2-dichloro-1-dibutoxyphosphorylethenyl) phosphate
- IUPAC
- dibutyl (2,2-dichloro-1-dibutoxyphosphorylethenyl) phosphate
Names & synonyms
25196-08-1dibutyl (2,2-dichloro-1-dibutoxyphosphorylethenyl) phosphateNSC191817DTXSID90307494NSC-191817Dibutyl {2,2-dichloro-1-[(dibutoxyphosphoryl)oxy]ethen-1-yl}phosphonate
Database identifiers
- CAS
25196-08-1- PubChem CID
- 303441
- DTXSID
DTXSID90307494
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 19
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 526
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Related reactions
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Compound notes
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