(2R)-3-Bromo-2-hydroxy-2-methylpropanoic acid

C4H7BrO3CAS 261904-39-6183.00 g/mol

Open in Covalent MOL file
BrOOHOH
AlcoholAlkyl halideCarboxylic acid

Properties

Molecular formula
C4H7BrO3
Molar mass
183.00 g/mol
Exact mass
181.9579 Da
logP
0.22Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
261904-39-6
SMILES
C[C@](CBr)(C(=O)O)O
InChIKey
HBJAYXGUOOININ-BYPYZUCNSA-N
InChI
InChI=1S/C4H7BrO3/c1-4(8,2-5)3(6)7/h8H,2H2,1H3,(H,6,7)/t4-/m0/s1

Weigh it out

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

Work with (2R)-3-Bromo-2-hydroxy-2-methylpropanoic 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

(±)-2-Hydroxy-2-methylbutyric acid3739-30-861 % similar (R)-(-)-Citramalic acid6236-10-857 % similar 2-Hydroxyisobutyric acid594-61-643 % similar Beta-Chloropivalic acid13511-38-142 % similar Bromoisobutyric acid2052-01-941 % similar 1-Methylcyclopropanecarboxylic acid6914-76-741 % similar Dimethylmalonic acid595-46-041 % similar Pivalic acid75-98-941 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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