9-bromodec-9-enenitrile

• ChemBase ID: 73675
• Molecular Formular: C10H16BrN
• Molecular Mass: 230.14474
• Monoisotopic Mass: 229.04661152
• SMILES: N#CCCCCCCCC(=C)Br
• Canonical SMILES: N#CCCCCCCCC(=C)Br
• InChI: InChI=1S/C10H16BrN/c1-10(11)8-6-4-2-3-5-7-9-12/h1-8H2
• InChIKey: OWVKLLABQABUHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-bromodec-9-enenitrile
• IUPAC Traditional name: 9-bromodec-9-enenitrile
• Synonyms: 9-Bromodec-9-enenitrile 97%

Database IDs

• MDL Number: MFCD09801072
• PubChem SID: 162038594
• PubChem CID: 24721700

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5886953
• LogD (pH = 7.4): 3.5886953
• Log P: 3.5886953
• Molar Refractivity: 56.1892 cm^3
• Polarizability: 21.407701 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true