3-(2,3-dichlorophenoxy)pyrrolidine

• ChemBase ID: 21033
• Molecular Formular: C10H11Cl2NO
• Molecular Mass: 232.10644
• Monoisotopic Mass: 231.02176934
• SMILES: c1(c(OC2CCNC2)cccc1Cl)Cl
• Canonical SMILES: Clc1cccc(c1Cl)OC1CNCC1
• InChI: InChI=1S/C10H11Cl2NO/c11-8-2-1-3-9(10(8)12)14-7-4-5-13-6-7/h1-3,7,13H,4-6H2
• InChIKey: HWIJGDCELKUNLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08687545
• PubChem SID: 160984340
• PubChem CID: 11299213

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.62140757
• LogD (pH = 7.4): -0.09814439
• Log P: 2.6074624
• Molar Refractivity: 57.4218 cm^3
• Polarizability: 22.980644 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false