1,7-dichloroheptane

• ChemBase ID: 111103
• Molecular Formular: C7H14Cl2
• Molecular Mass: 169.09206
• Monoisotopic Mass: 168.04725581
• SMILES: ClCCCCCCCCl
• Canonical SMILES: ClCCCCCCCCl
• InChI: InChI=1S/C7H14Cl2/c8-6-4-2-1-3-5-7-9/h1-7H2
• InChIKey: PSEMXLIZFGUOGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,7-dichloroheptane
• IUPAC Traditional name: 1,7-dichloroheptane
• Synonyms: 1,7-DICHLOROHEPTANE

Database IDs

• PubChem SID: 162106455
• PubChem CID: 69965

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.411533
• LogD (pH = 7.4): 3.411533
• Log P: 3.411533
• Molar Refractivity: 43.9686 cm^3
• Polarizability: 17.275013 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05217747

MP Biomedicals Rare Chemical collection