Phenylmethyl 2,2,2-trichloroethanimidate

C₉H₈Cl₃NOCAS 81927-55-1252.52 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₈Cl₃NO
Molar mass: 252.52 g/mol
Exact mass: 250.9671 Da
Melting point: 3 °C
Boiling point: 104 °C (at 0.1 Torr)
logP: 3.55Crippen estimate
Polar surface area: 33.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

81927-55-1

SMILES

N=C(OCc1ccccc1)C(Cl)(Cl)Cl

InChIKey

HUZCTWYDQIQZPM-UHFFFAOYSA-N

InChI

InChI=1S/C9H8Cl3NO/c10-9(11,12)8(13)14-6-7-4-2-1-3-5-7/h1-5,13H,6H2

Weigh it out

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

Names and synonyms

7 names

Ethanimidic acid, 2,2,2-trichloro-, phenylmethyl ester
Acetimidic acid, 2,2,2-trichloro-, benzyl ester
Benzyl trichloroacetimidate
Benzyl 2,2,2-trichloroacetimidate
O-Benzyl 2,2,2-trichloroacetimidate
2,2,2-Trichloroacetimidic acid benzyl ester
Benzyl 2,2,2-trichloroethanimidate

Work with Phenylmethyl 2,2,2-trichloroethanimidate

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

Benzyl carbamate621-84-150 % similar Bis(phenylmethyl) carbonate3459-92-545 % similar Dibenzyl oxalate7579-36-445 % similar Phenylmethyl 2-chloroacetate140-18-143 % similar Dibenzyl succinate103-43-543 % similar Dibenzyl malonate15014-25-243 % similar Benzyl phenylacetate102-16-942 % similar Benzyl acetate140-11-442 % similar

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

Elsewhere

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