3-(3-bromophenyl)-6-chloropyridazine

• ChemBase ID: 114218
• Molecular Formular: C10H6BrClN2
• Molecular Mass: 269.52504
• Monoisotopic Mass: 267.94028788
• SMILES: n1nc(ccc1c1cc(Br)ccc1)Cl
• Canonical SMILES: Brc1cccc(c1)c1ccc(nn1)Cl
• InChI: InChI=1S/C10H6BrClN2/c11-8-3-1-2-7(6-8)9-4-5-10(12)14-13-9/h1-6H
• InChIKey: KNYWWMABMAMYEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-bromophenyl)-6-chloropyridazine
• IUPAC Traditional name: 3-(3-bromophenyl)-6-chloropyridazine
• Synonyms: 3-(3-bromophenyl)-6-chloropyridazine

Database IDs

• MDL Number: MFCD12143144
• PubChem SID: 162099675
• PubChem CID: 33676164

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4018514
• LogD (pH = 7.4): 3.4018536
• Log P: 3.4018536
• Molar Refractivity: 62.0175 cm^3
• Polarizability: 24.175323 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 4.665

Product Information

• Purity: 95+%