3-chloro-6-(propan-2-yl)pyridazine

• ChemBase ID: 289831
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: CC(C)c1ccc(Cl)nn1
• Canonical SMILES: CC(c1ccc(nn1)Cl)C
• InChI: InChI=1S/C7H9ClN2/c1-5(2)6-3-4-7(8)10-9-6/h3-5H,1-2H3
• InChIKey: UYKSBKJSQWGYTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-(propan-2-yl)pyridazine
• IUPAC Traditional name: 3-chloro-6-isopropylpyridazine
• Synonyms: 3-Chloro-6-isopropylpyridazine

Database IDs

• CAS Number: 570416-35-2
• MDL Number: MFCD12143153
• PubChem SID: 180675362
• PubChem CID: 17804555

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9748944
• LogD (pH = 7.4): 1.9749173
• Log P: 1.9749175
• Molar Refractivity: 43.4234 cm^3
• Polarizability: 15.945744 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%