1-bromo-2-chloroprop-1-ene

• ChemBase ID: 108446
• Molecular Formular: C3H4BrCl
• Molecular Mass: 155.42086
• Monoisotopic Mass: 153.91848981
• SMILES: C/C(=C/Br)/Cl
• Canonical SMILES: C/C(=C/Br)/Cl
• InChI: InChI=1S/C3H4BrCl/c1-3(5)2-4/h2H,1H3
• InChIKey: LEUMKYBSYBFZEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-chloroprop-1-ene
• IUPAC Traditional name: 1-bromo-2-chloroprop-1-ene
• Synonyms: 1-BROMO-2-CHLORO-1-PROPENE

Database IDs

• PubChem SID: 162106158
• PubChem CID: 6437180

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9782513
• LogD (pH = 7.4): 1.9782513
• Log P: 1.9782513
• Molar Refractivity: 28.216099 cm^3
• Polarizability: 10.793116 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05207385

MP Biomedicals Rare Chemical collection