Methyl trichloroacetimidate
Properties
- Molecular formula
- C3H4Cl3NO
- Molar mass
- 176.42 g/mol
- Exact mass
- 174.9358 Da
- Melting point
- −30 °C
- Boiling point
- 148–149 °C
- logP
- 1.98Crippen estimate
- Polar surface area
- 33.1 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Identifiers
CAS number
2533-69-9SMILES
COC(=N)C(Cl)(Cl)ClInChIKey
OGBINJLTBZWRRB-UHFFFAOYSA-NInChI
InChI=1S/C3H4Cl3NO/c1-8-2(7)3(4,5)6/h7H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Ethanimidic acid, 2,2,2-trichloro-, methyl ester
- Acetimidic acid, 2,2,2-trichloro-, methyl ester
- Methyl 2,2,2-trichloroacetimidate
- Trichloroacetimidic acid methyl ester
- NSC 306728
- 2,2,2-Trichloroacetimidic acid methyl ester
- Methyl 2,2,2-trichloroethanimidate
Work with Methyl trichloroacetimidate
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Methyl trichloroacetate598-99-246 % similar
Phenylmethyl 2,2,2-trichloroethanimidate81927-55-138 % similar
Trichloroacetamide594-65-033 % similar
Dimethyl carbonate616-38-632 % similar
Methyl 2-chloro-2,2-difluoroacetate1514-87-031 % similar
Methyl acetimidate hydrochloride14777-27-631 % similar
Methyl pivalate598-98-131 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds