3-chloro-6-(2-fluorophenyl)pyridazine

• ChemBase ID: 114233
• Molecular Formular: C10H6ClFN2
• Molecular Mass: 208.6194432
• Monoisotopic Mass: 208.0203541
• SMILES: n1nc(ccc1c1c(F)cccc1)Cl
• Canonical SMILES: Clc1ccc(nn1)c1ccccc1F
• InChI: InChI=1S/C10H6ClFN2/c11-10-6-5-9(13-14-10)7-3-1-2-4-8(7)12/h1-6H
• InChIKey: VSJCZKWUVAOYPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-(2-fluorophenyl)pyridazine
• IUPAC Traditional name: 3-chloro-6-(2-fluorophenyl)pyridazine
• Synonyms: 3-chloro-6-(2-fluorophenyl)pyridazine

Database IDs

• MDL Number: MFCD12143149
• PubChem SID: 162099611
• PubChem CID: 12449555

CALCULATED PROPERTIES

• Polarizability: 21.10011 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7758026
• LogD (pH = 7.4): 2.7758029
• Log P: 2.7758029
• Molar Refractivity: 54.6111 cm^3

PROPERTIES

Physical Property

• Partition Coefficient: 3.981

Product Information

• Purity: 95+%