chempirical

(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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

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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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