chempirical

Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate

C11H14ClO5PCAS 40665-94-9292.65 g/mol

Open in Covalent MOL file
OPOOOClO
Aryl halideEtherKetonePhosphonate

Properties

Molecular formula
C11H14ClO5P
Molar mass
292.65 g/mol
Exact mass
292.0267 Da
logP
2.77Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
40665-94-9
SMILES
COP(=O)(CC(=O)COC1=CC(=CC=C1)Cl)OC
InChIKey
ZNPUZMPUXAFKQZ-UHFFFAOYSA-N
InChI
InChI=1S/C11H14ClO5P/c1-15-18(14,16-2)8-10(13)7-17-11-5-3-4-9(12)6-11/h3-6H,7-8H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate

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

Dimethyl [2-oxo-3-[3-(trifluoromethyl)phenoxy]propyl]phosphonate54094-19-872 % similar Dimethyl(3-phenoxy-2-oxopropyl)phosphonate40665-68-771 % similar 3-Chlorophenoxyacetic acid588-32-951 % similar Dimethyl (2-oxo-4-phenylbutyl)phosphonate41162-19-049 % similar 2-(3-Chlorophenoxy)acetonitrile43111-32-641 % similar 3-Chloroanisole2845-89-840 % similar Dimethyl P-(2-oxoheptyl)phosphonate36969-89-840 % similar Benzyl dimethyl phosphonoacetate57443-18-239 % similar

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

Elsewhere

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