chempirical

(2S)-2-Chlorobutanedioic acid

C4H5ClO4CAS 4198-33-8152.53 g/mol

Open in Covalent MOL file
OHOClOOH
Alkyl halideCarboxylic acid

Properties

Molecular formula
C4H5ClO4
Molar mass
152.53 g/mol
Exact mass
151.9876 Da
Melting point
175 °C
logP
0.15Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
Sin 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
4198-33-8
SMILES
O=C(O)C[C@H](Cl)C(=O)O
InChIKey
QEGKXSHUKXMDRW-REOHCLBHSA-N
InChI
InChI=1S/C4H5ClO4/c5-2(4(8)9)1-3(6)7/h2H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • Butanedioic acid, 2-chloro-, (2S)-
  • Succinic acid, chloro-, (S)-
  • Butanedioic acid, chloro-, (S)-
  • Butanedioic acid, chloro-, (2S)-
  • L-Chlorosuccinic acid
  • (S)-Chlorosuccinic acid
  • (-)-Chlorosuccinic acid

Work with (2S)-2-Chlorobutanedioic 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.

(R)-2-Chlorosuccinic acid3972-40-5Enantiomer

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

PubChem CAS Common Chemistry NIST WebBook