1-(2,3-dichlorophenyl)-1H-pyrrole

• ChemBase ID: 81001
• Molecular Formular: C10H7Cl2N
• Molecular Mass: 212.07528
• Monoisotopic Mass: 210.99555459
• SMILES: n1(c2cccc(c2Cl)Cl)cccc1
• Canonical SMILES: Clc1cccc(c1Cl)n1cccc1
• InChI: InChI=1S/C10H7Cl2N/c11-8-4-3-5-9(10(8)12)13-6-1-2-7-13/h1-7H
• InChIKey: QUCIYMWLPKXEQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,3-dichlorophenyl)-1H-pyrrole
• IUPAC Traditional name: 1-(2,3-dichlorophenyl)pyrrole
• Synonyms: 1-(2,3-dichlorophenyl)-1H-pyrrole

Database IDs

• MDL Number: MFCD00119744
• PubChem SID: 162068120
• PubChem CID: 2776842

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5978
• LogD (pH = 7.4): 3.5978
• Log P: 3.5978
• Molar Refractivity: 65.42 cm^3
• Polarizability: 22.076153 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true