5,6-dichloropyridazin-4-amine

• ChemBase ID: 238416
• Molecular Formular: C4H3Cl2N3
• Molecular Mass: 163.99272
• Monoisotopic Mass: 162.97040247
• SMILES: c1(c(nncc1N)Cl)Cl
• Canonical SMILES: Clc1c(N)cnnc1Cl
• InChI: InChI=1S/C4H3Cl2N3/c5-3-2(7)1-8-9-4(3)6/h1H,(H2,7,9)
• InChIKey: IECXBOCRHHKNKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dichloropyridazin-4-amine
• IUPAC Traditional name: 5,6-dichloropyridazin-4-amine
• Synonyms: 5,6-dichloropyridazin-4-amine

Database IDs

• MDL Number: MFCD01647252
• PubChem SID: 164294326
• PubChem CID: 6403202

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.37414354
• LogD (pH = 7.4): 0.3751314
• Log P: 0.375144
• Molar Refractivity: 39.1357 cm^3
• Polarizability: 13.715505 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.943

Product Information

• Purity: 95%