chempirical

(R)-2-Bromobutanoic acid

C4H7BrO2CAS 2681-94-9167.00 g/mol

Open in Covalent MOL file
OOHBr
Alkyl halideCarboxylic acid

Properties

Molecular formula
C4H7BrO2
Molar mass
167.00 g/mol
Exact mass
165.9629 Da
logP
1.24Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
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
2681-94-9
SMILES
CC[C@H](C(=O)O)Br
InChIKey
YAQLSKVCTLCIIE-GSVOUGTGSA-N
InChI
InChI=1S/C4H7BrO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)/t3-/m1/s1

Weigh it out

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Names and synonyms

1 names
  • Alpha-Bromobutyric acid, (R)-

Work with (R)-2-Bromobutanoic 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.

2-Bromobutyric acid80-58-0Stereo not defined

Similar compounds

2-Bromopentanoic acid584-93-063 % similar 2-Bromohexanoic acid616-05-759 % similar 2,3-Dibromopropionic acid600-05-558 % similar Ethylmalonic acid601-75-256 % similar 2-Ethylbutanoic acid88-09-556 % similar 2-Bromooctadecanoic acid142-94-955 % similar 2-Bromohexadecanoic acid18263-25-755 % similar 2-Bromooctanoic acid2623-82-755 % similar

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

Same formula

Ethyl bromoacetate105-36-2 Bromoisobutyric acid2052-01-9 4-Bromobutanoic acid2623-87-2 Methyl 3-bromopropanoate3395-91-3 1-Bromoethyl acetate40258-78-4 2-(Bromomethyl)-1,3-dioxolane4360-63-8 Methyl 2-bromopropanoate5445-17-0

Elsewhere

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