Demethylvinylbutonate
Basic information
- CAS
73321-75-2- Standard SMILES
CCCC(=O)OC(=C(Cl)Cl)P(=O)(O)OC- InChIKey
GUPKBJYKYHVDMH-UHFFFAOYSA-N- Molecular formula
- C7H11Cl2O5P
- Average molar mass
- 277.04 g/mol
- Monoisotopic mass
- 275.9721158
Names & identifiers
- Preferred name
- Demethylvinylbutonate
- IUPAC
- (1-butanoyloxy-2,2-dichloroethenyl)-methoxyphosphinic acid
- English name
- demethylvinylbutonate
- Molecular formula
- C7H11Cl2O5P
- Molecular weight
- 277.039001
Names & synonyms
DemethylvinylbutonateDemethyl vinylbutonate73321-75-2DTXSID00223555RefChem:131769DTXCID30146046(1-butanoyloxy-2,2-dichloroethenyl)-methoxyphosphinic acid2,2-Dichloro-1-[hydroxy(methoxy)phosphoryl]ethen-1-yl butanoateButanoic acid, 2,2-dichloro-1-(hydroxymethoxyphosphinyl)ethenyl ester
Database identifiers
- CAS
73321-75-2- PubChem CID
- 153442
- DTXSID
DTXSID00223555
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 311
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Compound notes
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