3-(4-bromophenyl)-6-chloropyridazine

• ChemBase ID: 114219
• Molecular Formular: C10H6BrClN2
• Molecular Mass: 269.52504
• Monoisotopic Mass: 267.94028788
• SMILES: n1nc(ccc1c1ccc(cc1)Br)Cl
• Canonical SMILES: Brc1ccc(cc1)c1ccc(nn1)Cl
• InChI: InChI=1S/C10H6BrClN2/c11-8-3-1-7(2-4-8)9-5-6-10(12)14-13-9/h1-6H
• InChIKey: AIOVQWFBJVWQHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-bromophenyl)-6-chloropyridazine
• IUPAC Traditional name: 3-(4-bromophenyl)-6-chloropyridazine
• Synonyms: 3-(4-bromophenyl)-6-chloropyridazine

Database IDs

• MDL Number: MFCD04116239
• PubChem SID: 162099165
• PubChem CID: 6405255

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.401851
• LogD (pH = 7.4): 3.4018536
• Log P: 3.4018536
• Molar Refractivity: 62.0175 cm^3
• Polarizability: 24.17449 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 4.628

Product Information

• Purity: 95+%