6-chloropyridazine-3-sulfonyl fluoride

• ChemBase ID: 280308
• Molecular Formular: C4H2ClFN2O2S
• Molecular Mass: 196.5872832
• Monoisotopic Mass: 195.95095421
• SMILES: S(=O)(=O)(c1nnc(cc1)Cl)F
• Canonical SMILES: Clc1ccc(nn1)S(=O)(=O)F
• InChI: InChI=1S/C4H2ClFN2O2S/c5-3-1-2-4(8-7-3)11(6,9)10/h1-2H
• InChIKey: KQCBZJQYJGOUOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloropyridazine-3-sulfonyl fluoride
• IUPAC Traditional name: 6-chloropyridazine-3-sulfonyl fluoride
• Synonyms: 6-chloropyridazine-3-sulfonyl fluoride

Database IDs

• MDL Number: MFCD09702326
• PubChem SID: 180665839
• PubChem CID: 10750417

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8531966
• LogD (pH = 7.4): 0.8531966
• Log P: 0.8531966
• Molar Refractivity: 39.5032 cm^3
• Polarizability: 14.771731 Å^3
• Polar Surface Area: 59.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.689

Product Information

• Purity: 95%