3-(4-bromophenoxy)-6-methylpyridazine

• ChemBase ID: 80716
• Molecular Formular: C11H9BrN2O
• Molecular Mass: 265.10596
• Monoisotopic Mass: 263.98982492
• SMILES: n1nc(ccc1Oc1ccc(cc1)Br)C
• Canonical SMILES: Brc1ccc(cc1)Oc1ccc(nn1)C
• InChI: InChI=1S/C11H9BrN2O/c1-8-2-7-11(14-13-8)15-10-5-3-9(12)4-6-10/h2-7H,1H3
• InChIKey: LZEJOINDIKGWQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-bromophenoxy)-6-methylpyridazine
• IUPAC Traditional name: 3-(4-bromophenoxy)-6-methylpyridazine
• Synonyms: 3-(4-Bromophenoxy)-6-methylpyridazine

Database IDs

• CAS Number: 368869-96-9
• MDL Number: MFCD03086135
• PubChem SID: 162067836
• PubChem CID: 2776522

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7705758
• LogD (pH = 7.4): 2.7706697
• Log P: 2.770671
• Molar Refractivity: 62.533 cm^3
• Polarizability: 23.429638 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%