3-(2-bromophenoxy)pyridazine

• ChemBase ID: 240946
• Molecular Formular: C10H7BrN2O
• Molecular Mass: 251.07938
• Monoisotopic Mass: 249.97417485
• SMILES: n1c(Oc2c(Br)cccc2)cccn1
• Canonical SMILES: Brc1ccccc1Oc1cccnn1
• InChI: InChI=1S/C10H7BrN2O/c11-8-4-1-2-5-9(8)14-10-6-3-7-12-13-10/h1-7H
• InChIKey: PESLFQDAIUALFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-bromophenoxy)pyridazine
• IUPAC Traditional name: 3-(2-bromophenoxy)pyridazine
• Synonyms: 3-(2-bromophenoxy)pyridazine

Database IDs

• MDL Number: MFCD16767534
• PubChem SID: 164296856
• PubChem CID: 62483448

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6392872
• LogD (pH = 7.4): 2.6393006
• Log P: 2.6393008
• Molar Refractivity: 57.9415 cm^3
• Polarizability: 21.69007 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 109 - 111°C
• Hydrophobicity(logP): 2.149

Product Information

• Purity: 95%