chempirical

Diethyl [(2-chloroethoxy)methyl]phosphonate

C7H16ClO4PCAS 116384-56-6230.62 g/mol

Open in Covalent MOL file
OPOOClO
Alkyl halideEtherPhosphonate

Properties

Molecular formula
C7H16ClO4P
Molar mass
230.62 g/mol
Exact mass
230.0475 Da
logP
2.47Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
8

Identifiers

CAS number
116384-56-6
SMILES
CCOP(=O)(COCCCl)OCC
InChIKey
SRYMPIRBPPQDPD-UHFFFAOYSA-N
InChI
InChI=1S/C7H16ClO4P/c1-3-11-13(9,12-4-2)7-10-6-5-8/h3-7H2,1-2H3

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Names and synonyms

1 names
  • Diethyl ((2-chloroethoxy)methyl)phosphonate

Work with Diethyl [(2-chloroethoxy)methyl]phosphonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Chloro-2-ethoxyethane628-34-250 % similar Tetraethyl methylenediphosphonate1660-94-248 % similar Tetraethyl ethylenediphosphonate995-32-448 % similar Diethyl ethylphosphonate78-38-647 % similar Diethyl propylphosphonate18812-51-645 % similar Diethyl P-(iodomethyl)phosphonate10419-77-944 % similar Diethyl P-(hydroxymethyl)phosphonate3084-40-044 % similar Diethyl P-(cyanomethyl)phosphonate2537-48-641 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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