1-(2,3-dichlorophenyl)pyrrolidine

• ChemBase ID: 90103
• Molecular Formular: C10H11Cl2N
• Molecular Mass: 216.10704
• Monoisotopic Mass: 215.02685472
• SMILES: N1(c2c(c(ccc2)Cl)Cl)CCCC1
• Canonical SMILES: Clc1c(Cl)cccc1N1CCCC1
• InChI: InChI=1S/C10H11Cl2N/c11-8-4-3-5-9(10(8)12)13-6-1-2-7-13/h3-5H,1-2,6-7H2
• InChIKey: IAZPUGZBGFSCKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,3-dichlorophenyl)pyrrolidine
• IUPAC Traditional name: 1-(2,3-dichlorophenyl)pyrrolidine
• Synonyms: 1-(2,3-Dichlorophenyl)pyrrolidine

Database IDs

• CAS Number: 957065-92-8
• MDL Number: MFCD09998784
• PubChem SID: 162076958
• PubChem CID: 17866730

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6951714
• LogD (pH = 7.4): 3.6951764
• Log P: 3.6951766
• Molar Refractivity: 57.6372 cm^3
• Polarizability: 21.882116 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant