3-[Butoxy(2-chloroethoxy)phosphoryl]-2-methylhexan-3-yl 2-chloroethyl phosphate
Basic information
- CAS
59022-12-7- Standard SMILES
CCCCOP(=O)(OCCCl)C(CCC)(OP(=O)([O-])OCCCl)C(C)C- InChIKey
JUOLTHKDNOFWBM-UHFFFAOYSA-M- Molecular formula
- C15H31Cl2O7P2-
- Average molar mass
- 456.3 g/mol
- Monoisotopic mass
- 455.0922077
Names & identifiers
- Preferred name
- 3-[Butoxy(2-chloroethoxy)phosphoryl]-2-methylhexan-3-yl 2-chloroethyl phosphate
- IUPAC
- [3-[butoxy(2-chloroethoxy)phosphoryl]-2-methylhexan-3-yl] 2-chloroethyl phosphate
Names & synonyms
59022-12-7DTXSID908520503-[Butoxy(2-chloroethoxy)phosphoryl]-2-methylhexan-3-yl 2-chloroethyl phosphate
Database identifiers
- CAS
59022-12-7- PubChem CID
- 71443218
- DTXSID
DTXSID90852050
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 26
- Formal charge
- -1
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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