(2R)-2-bromobutanoic acid

• ChemBase ID: 162414
• Molecular Formular: C4H7BrO2
• Molecular Mass: 167.00118
• Monoisotopic Mass: 165.96294146
• SMILES: C([C@H](C(=O)O)Br)C
• Canonical SMILES: CC[C@H](C(=O)O)Br
• InChI: InChI=1S/C4H7BrO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)/t3-/m1/s1
• InChIKey: YAQLSKVCTLCIIE-GSVOUGTGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-bromobutanoic acid
• IUPAC Traditional name: (2R)-2-bromobutanoic acid
• Synonyms: (2R)-2-Bromobutanoic Acid; (R)-α-Bromobutyric Acid; D-2-Bromobutanoic Acid; (R)-2-Bromobutyric Acid

Database IDs

• CAS Number: 2681-94-9
• PubChem SID: 162256549
• PubChem CID: 6992738

CALCULATED PROPERTIES

• Acid pKa: 3.0921578
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.78711635
• LogD (pH = 7.4): -1.8717941
• Log P: 1.59078
• Molar Refractivity: 29.3983 cm^3
• Polarizability: 11.6533575 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; DCM; Ether; Methanol
• Apperance: Pale Yellow Oil

Safety Information

• Storage Condition: Refrigerator