2-(4-bromophenoxy)pyrimidine

• ChemBase ID: 264609
• Molecular Formular: C10H7BrN2O
• Molecular Mass: 251.07938
• Monoisotopic Mass: 249.97417485
• SMILES: c1(ncccn1)Oc1ccc(Br)cc1
• Canonical SMILES: Brc1ccc(cc1)Oc1ncccn1
• InChI: InChI=1S/C10H7BrN2O/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10/h1-7H
• InChIKey: HHJBRCBIEQHCOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromophenoxy)pyrimidine
• IUPAC Traditional name: 2-(4-bromophenoxy)pyrimidine
• Synonyms: 2-(4-bromophenoxy)pyrimidine

Database IDs

• MDL Number: MFCD09943481
• PubChem SID: 164320519
• PubChem CID: 24704186

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.99756
• LogD (pH = 7.4): 2.9975612
• Log P: 2.9975612
• Molar Refractivity: 56.5319 cm^3
• Polarizability: 21.681057 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114 - 116°C
• Hydrophobicity(logP): 2.649

Product Information

• Purity: 95%