3,4,5-trichloro-6-phenylpyridazine

• ChemBase ID: 79876
• Molecular Formular: C10H5Cl3N2
• Molecular Mass: 259.5191
• Monoisotopic Mass: 257.95183121
• SMILES: n1nc(c(c(c1c1ccccc1)Cl)Cl)Cl
• Canonical SMILES: Clc1nnc(c(c1Cl)Cl)c1ccccc1
• InChI: InChI=1S/C10H5Cl3N2/c11-7-8(12)10(13)15-14-9(7)6-4-2-1-3-5-6/h1-5H
• InChIKey: BVPVWXGCEPJZRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4,5-trichloro-6-phenylpyridazine
• IUPAC Traditional name: 3,4,5-trichloro-6-phenylpyridazine
• Synonyms: 3,4,5-trichloro-6-phenylpyridazine

Database IDs

• MDL Number: MFCD00218496
• PubChem SID: 162044639
• PubChem CID: 6409791

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8411891
• LogD (pH = 7.4): 3.8411903
• Log P: 3.8411903
• Molar Refractivity: 64.0043 cm^3
• Polarizability: 25.302849 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true