2,3-dichloropentane

• ChemBase ID: 107136
• Molecular Formular: C5H10Cl2
• Molecular Mass: 141.0389
• Monoisotopic Mass: 140.01595568
• SMILES: CCC(Cl)C(C)Cl
• Canonical SMILES: CCC(C(Cl)C)Cl
• InChI: InChI=1S/C5H10Cl2/c1-3-5(7)4(2)6/h4-5H,3H2,1-2H3
• InChIKey: HVFJQRZGBBKTPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichloropentane
• IUPAC Traditional name: pentane, 2,3-dichloro-
• Synonyms: 2,3-DICHLOROPENTANE

Database IDs

• PubChem SID: 162106001
• PubChem CID: 102447

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.856177
• LogD (pH = 7.4): 2.856177
• Log P: 2.856177
• Molar Refractivity: 34.0172 cm^3
• Polarizability: 13.618647 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05202705

MP Biomedicals Rare Chemical collection