2-bromo-9-chloronon-1-ene

• ChemBase ID: 86350
• Molecular Formular: C9H16BrCl
• Molecular Mass: 239.58034
• Monoisotopic Mass: 238.01239019
• SMILES: BrC(=C)CCCCCCCCl
• Canonical SMILES: ClCCCCCCCC(=C)Br
• InChI: InChI=1S/C9H16BrCl/c1-9(10)7-5-3-2-4-6-8-11/h1-8H2
• InChIKey: DAHDYQUKJQTRBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-9-chloronon-1-ene
• IUPAC Traditional name: 2-bromo-9-chloronon-1-ene
• Synonyms: 2-Bromo-9-chloronon-1-ene 97%

Database IDs

• MDL Number: MFCD00671834
• PubChem SID: 162073466
• PubChem CID: 10105685

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.3243327
• LogD (pH = 7.4): 4.3243327
• Log P: 4.3243327
• Molar Refractivity: 55.9232 cm^3
• Polarizability: 21.58265 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true