(R)-(+)-2-Chloropropionic acid

C3H5ClO2CAS 7474-05-7108.52 g/mol

Open in Covalent MOL file
OOHCl
Alkyl halideCarboxylic acid

Properties

Molecular formula
C3H5ClO2
Molar mass
108.52 g/mol
Exact mass
107.9978 Da
logP
0.70Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1
Stereocentres
Rin SMILES atom order

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number
7474-05-7
SMILES
C[C@H](C(=O)O)Cl
InChIKey
GAWAYYRQGQZKCR-UWTATZPHSA-N
InChI
InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m1/s1

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

Names and synonyms

1 names
  • 2-Chloropropionic acid, (+)-

Work with (R)-(+)-2-Chloropropionic 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.

(S)-(-)-2-Chloropropionic acid29617-66-1Enantiomer 2-Chloropropionic acid598-78-7Stereo not defined

Similar compounds

(2S)-2-Chloro-3-methylbutanoic acid26782-74-152 % similar Methylmalonic acid516-05-250 % similar Isobutyric acid79-31-250 % similar Dichloroacetic acid79-43-650 % similar (S)-2-Chloro-4-methyl-N-valeric acid28659-81-646 % similar Diisopropylammonium dichloroacetate660-27-546 % similar D-Lactic acid10326-41-746 % similar Poly[(+)-lactic acid]106989-11-146 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloropropionic acid107-94-8 Methoxyacetyl chloride38870-89-2 Ethyl chloroformate541-41-3 Methyl chloroacetate96-34-4

Elsewhere

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