2-bromo-7-chlorohept-1-ene

• ChemBase ID: 86330
• Molecular Formular: C7H12BrCl
• Molecular Mass: 211.52718
• Monoisotopic Mass: 209.98109006
• SMILES: BrC(=C)CCCCCCl
• Canonical SMILES: ClCCCCCC(=C)Br
• InChI: InChI=1S/C7H12BrCl/c1-7(8)5-3-2-4-6-9/h1-6H2
• InChIKey: KNMGSYMNJLSGPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-7-chlorohept-1-ene
• IUPAC Traditional name: 2-bromo-7-chlorohept-1-ene
• Synonyms: 2-Bromo-7-chlorohept-1-ene 97%

Database IDs

• MDL Number: MFCD00671832
• PubChem SID: 162073446
• PubChem CID: 24721690

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4351954
• LogD (pH = 7.4): 3.4351954
• Log P: 3.4351954
• Molar Refractivity: 46.7212 cm^3
• Polarizability: 17.954632 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true