You are looking to 2-Bromobutanoic Acid
General Information
Pubchem ID: 6655
IUPAC Name: 2-bromobutanoic acid
Synonym/s: alpha-Bromobutyric acid, 2-Bromobutyric acid
Molecular Formula: C4H7BrO2
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 167.0000
Number of Atoms: 14
Rotatable Bonds: 2
Molecular Refractivity (m³ • mol-1 ): 29.400
Physico-chemical Properties
Volume (cm³ • mol-1 ): 449.71
Solvent Accessible Surface Area (Ų): 303.29
Hydrogen Bond Donor: 0
Hydrogen Bond Acceptor: 0
Total Charge: 0
pKa: 2.96
AlogP: 1.45
Polar Surface Area (Å): 50.10
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Satisfied
Ghose Filter: Unsatisfied
Functional Group/s
Carbonyl
Carboxylic acid
Alkyl bromide
Alkyl halide
C(sp3)-leaving group