8-chloronon-8-enenitrile

• ChemBase ID: 86475
• Molecular Formular: C9H14ClN
• Molecular Mass: 171.66716
• Monoisotopic Mass: 171.08147713
• SMILES: N#CCCCCCCC(=C)Cl
• Canonical SMILES: N#CCCCCCCC(=C)Cl
• InChI: InChI=1S/C9H14ClN/c1-9(10)7-5-3-2-4-6-8-11/h1-7H2
• InChIKey: PGGXUAAHWXYEFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloronon-8-enenitrile
• IUPAC Traditional name: 8-chloronon-8-enenitrile
• Synonyms: 8-Chloronon-8-enenitrile

Database IDs

• MDL Number: MFCD09801069
• PubChem SID: 162073591
• PubChem CID: 24721696

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9794188
• LogD (pH = 7.4): 2.9794188
• Log P: 2.9794188
• Molar Refractivity: 48.7702 cm^3
• Polarizability: 18.730131 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true