3-(4-bromophenoxy)pyridazine

• ChemBase ID: 273959
• Molecular Formular: C10H7BrN2O
• Molecular Mass: 251.07938
• Monoisotopic Mass: 249.97417485
• SMILES: n1ncccc1Oc1ccc(Br)cc1
• Canonical SMILES: Brc1ccc(cc1)Oc1cccnn1
• InChI: InChI=1S/C10H7BrN2O/c11-8-3-5-9(6-4-8)14-10-2-1-7-12-13-10/h1-7H
• InChIKey: CFCFRVJNWPBDQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-bromophenoxy)pyridazine
• IUPAC Traditional name: 3-(4-bromophenoxy)pyridazine
• Synonyms: 3-(4-bromophenoxy)pyridazine

Database IDs

• MDL Number: MFCD16767536
• PubChem SID: 164329869
• PubChem CID: 52352097

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.639287
• LogD (pH = 7.4): 2.6393006
• Log P: 2.6393008
• Molar Refractivity: 57.9415 cm^3
• Polarizability: 21.682846 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.379

Product Information

• Purity: 95%