3-Chloro-2,2-bis(chloromethyl)propanoic acid

C₅H₇Cl₃O₂CAS 17831-70-8205.46 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₅H₇Cl₃O₂
Molar mass: 205.46 g/mol
Exact mass: 203.9512 Da
logP: 1.77Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

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

17831-70-8

SMILES

C(C(CCl)(CCl)C(=O)O)Cl

InChIKey

RDRNKIGGASXJAX-UHFFFAOYSA-N

InChI

InChI=1S/C5H7Cl3O2/c6-1-5(2-7,3-8)4(9)10/h1-3H2,(H,9,10)

Weigh it out

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Names and synonyms

1 names

3-Chloro-2,2-dichloromethyl propionic acid

Work with 3-Chloro-2,2-bis(chloromethyl)propanoic acid

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

1,3,5,7-Adamantanetetracarboxylic acid100884-80-857 % similar Bicyclo(1.1.1)pentane-1,3-dicarboxylic acid56842-95-657 % similar Bicyclo[2.2.2]octane-1,4-dicarboxylic acid711-02-457 % similar Beta-Chloropivalic acid13511-38-156 % similar Bicyclo(2.2.1)heptane-1,4-dicarboxylic acid15544-51-152 % similar 1-Adamantanecarboxylic acid828-51-346 % similar Dimethylmalonic acid595-46-043 % similar 1,1-Cyclopropanedicarboxylic acid598-10-743 % similar

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

Elsewhere

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