2-bromo-1-methoxypropane

• ChemBase ID: 284989
• Molecular Formular: C4H9BrO
• Molecular Mass: 153.01766
• Monoisotopic Mass: 151.98367691
• SMILES: BrC(COC)C
• Canonical SMILES: COCC(Br)C
• InChI: InChI=1S/C4H9BrO/c1-4(5)3-6-2/h4H,3H2,1-2H3
• InChIKey: PBHYCZIZMTYKAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-1-methoxypropane
• IUPAC Traditional name: 2-bromo-1-methoxypropane
• Synonyms: 2-bromo-1-methoxypropane

Database IDs

• MDL Number: MFCD16788465
• PubChem SID: 180670520
• PubChem CID: 524034

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3911096
• LogD (pH = 7.4): 1.3911096
• Log P: 1.3911096
• Molar Refractivity: 29.7581 cm^3
• Polarizability: 11.64037 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.213

Product Information

• Purity: 95%