(R)-2-Chlorosuccinic acid

C₄H₅ClO₄CAS 3972-40-5152.53 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₄H₅ClO₄
Molar mass: 152.53 g/mol
Exact mass: 151.9876 Da
logP: 0.15Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

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

3972-40-5

SMILES

C([C@H](C(=O)O)Cl)C(=O)O

InChIKey

QEGKXSHUKXMDRW-UWTATZPHSA-N

InChI

InChI=1S/C4H5ClO4/c5-2(4(8)9)1-3(6)7/h2H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1

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Names and synonyms

1 names

Chlorosuccinic acid, (R)-

Work with (R)-2-Chlorosuccinic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(2S)-2-Chlorobutanedioic acid4198-33-8Enantiomer

Similar compounds

1,2,3,4-Butanetetracarboxylic acid1703-58-858 % similar Propane-1,2,3-tricarboxylic acid99-14-958 % similar 2,3-Dichloropropionic acid565-64-056 % similar (S)-2-Chloro-N-butyric acid32653-32-054 % similar 2-Chlorobutanoic acid4170-24-554 % similar Malic acid617-48-154 % similar D-Malic acid636-61-354 % similar Malic acid6915-15-754 % similar

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

Elsewhere

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