5-bromo-1,3-oxazole

• ChemBase ID: 813795
• Molecular Formular: C3H2BrNO
• Molecular Mass: 147.95808
• Monoisotopic Mass: 146.93197569
• SMILES: o1cncc1Br
• Canonical SMILES: Brc1cnco1
• InChI: InChI=1S/C3H2BrNO/c4-3-1-5-2-6-3/h1-2H
• InChIKey: OVMJOYYXECNYJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-1,3-oxazole
• IUPAC Traditional name: 5-bromo-1,3-oxazole
• Synonyms: 5-bromooxazole

Database IDs

• CAS Number: 1060812-80-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.384245
• LogD (pH = 7.4): 0.3842453
• Log P: 0.3842453
• Molar Refractivity: 24.1722 cm^3
• Polarizability: 9.538856 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%