3-chloro-6-(octyloxy)pyridazine

• ChemBase ID: 84907
• Molecular Formular: C12H19ClN2O
• Molecular Mass: 242.74506
• Monoisotopic Mass: 242.11859092
• SMILES: n1c(ccc(n1)OCCCCCCCC)Cl
• Canonical SMILES: CCCCCCCCOc1ccc(nn1)Cl
• InChI: InChI=1S/C12H19ClN2O/c1-2-3-4-5-6-7-10-16-12-9-8-11(13)14-15-12/h8-9H,2-7,10H2,1H3
• InChIKey: FCOZNBOOOLVSOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-(octyloxy)pyridazine
• IUPAC Traditional name: 3-chloro-6-(octyloxy)pyridazine
• Synonyms: 3-Chloro-6-(octyloxy)pyridazine

Database IDs

• MDL Number: MFCD00831828
• PubChem SID: 162072023
• PubChem CID: 6409850

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.138985
• LogD (pH = 7.4): 4.138985
• Log P: 4.138985
• Molar Refractivity: 68.6848 cm^3
• Polarizability: 25.905222 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant