(2S)-2-Bromopropanoic acid

C₃H₅BrO₂CAS 32644-15-8152.97 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₃H₅BrO₂
Molar mass: 152.97 g/mol
Exact mass: 151.9473 Da
Boiling point: 97–98 °C (at 11 Torr)
logP: 0.85Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 40 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

32644-15-8

SMILES

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

InChIKey

MONMFXREYOKQTI-REOHCLBHSA-N

InChI

InChI=1S/C3H5BrO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m0/s1

Weigh it out

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

Names and synonyms

14 names · show all

Propanoic acid, 2-bromo-, (2S)-
Propanoic acid, 2-bromo-, (S)-
Propionic acid, 2-bromo-, (S)-
L-α-Bromopropionic acid
L-2-Bromopropionic acid
(S)-2-Bromopropionic acid
(2S)-2-Bromopropionic acid
(-)-2-Bromopropionic acid
(-)-2-Bromopropanoic acid
(-)-α-Bromopropanoic acid
(S)-(-)-2-Bromopropionic acid
(S)-α-Bromopropionic acid
(S)-2-Bromopropanoic acid
2-Bromopropionic acid, (S)-

Work with (2S)-2-Bromopropanoic 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-Bromopropionic acid10009-70-8Enantiomer 2-Bromopropionic acid598-72-1Stereo not defined

Similar compounds

(2S)-2-Bromo-3-methylbutanoic acid26782-75-252 % similar 2-Bromo-3-methylbutyric acid565-74-252 % similar Methylmalonic acid516-05-250 % similar 2,3-Dibromosuccinic acid526-78-350 % similar 2,3-Dibromobutanoic acid600-30-650 % similar Rel-(2R,3S)-2,3-Dibromobutanedioic acid608-36-650 % similar Isobutyric acid79-31-250 % similar D-Lactic acid10326-41-746 % similar

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

Same formula

3-Bromopropionic acid590-92-1 Bromomethyl acetate590-97-6 Methyl 2-bromoacetate96-32-2

Elsewhere

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