2-(2,3-dichlorophenyl)pyrrolidine

• ChemBase ID: 244419
• Molecular Formular: C10H11Cl2N
• Molecular Mass: 216.10704
• Monoisotopic Mass: 215.02685472
• SMILES: c1(c(c(Cl)ccc1)Cl)C1NCCC1
• Canonical SMILES: Clc1cccc(c1Cl)C1CCCN1
• InChI: InChI=1S/C10H11Cl2N/c11-8-4-1-3-7(10(8)12)9-5-2-6-13-9/h1,3-4,9,13H,2,5-6H2
• InChIKey: HZVTWBMAMRYGPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dichlorophenyl)pyrrolidine
• IUPAC Traditional name: 2-(2,3-dichlorophenyl)pyrrolidine
• Synonyms: 2-(2,3-dichlorophenyl)pyrrolidine

Database IDs

• MDL Number: MFCD02663448
• PubChem SID: 164300329
• PubChem CID: 3993594

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.011823333
• LogD (pH = 7.4): 0.97837234
• Log P: 3.2052486
• Molar Refractivity: 56.1268 cm^3
• Polarizability: 22.25564 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.24

Product Information

• Purity: 95%