3-bromo-1-chloroprop-1-ene

• ChemBase ID: 239391
• Molecular Formular: C3H4BrCl
• Molecular Mass: 155.42086
• Monoisotopic Mass: 153.91848981
• SMILES: C(=C\Cl)/CBr
• Canonical SMILES: Cl/C=C/CBr
• InChI: InChI=1S/C3H4BrCl/c4-2-1-3-5/h1,3H,2H2
• InChIKey: AHUWMUAVZFJTOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-1-chloroprop-1-ene
• IUPAC Traditional name: 3-bromo-1-chloroprop-1-ene
• Synonyms: 3-bromo-1-chloroprop-1-ene

Database IDs

• MDL Number: MFCD01742789
• PubChem SID: 164295301
• PubChem CID: 6433386

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.0699575
• LogD (pH = 7.4): 2.0699575
• Log P: 2.0699575
• Molar Refractivity: 28.2601 cm^3
• Polarizability: 10.777394 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.903

Product Information

• Purity: 95%