5-fluoro-1,3-benzoxazole

• ChemBase ID: 100744
• Molecular Formular: C7H4FNO
• Molecular Mass: 137.1111632
• Monoisotopic Mass: 137.02769197
• SMILES: o1c2ccc(cc2nc1)F
• Canonical SMILES: Fc1ccc2c(c1)nco2
• InChI: InChI=1S/C7H4FNO/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H
• InChIKey: ZRMPAEOUOPNNPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-1,3-benzoxazole
• IUPAC Traditional name: 5-fluoro-1,3-benzoxazole
• Synonyms: 5-Fluorobenzoxazole 99%; 5-fluorobenzoxazole

Database IDs

• CAS Number: 221347-71-3
• MDL Number: MFCD08458151
• PubChem SID: 162087804
• PubChem CID: 19937167

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4625654
• LogD (pH = 7.4): 1.4625673
• Log P: 1.4625673
• Molar Refractivity: 32.9395 cm^3
• Polarizability: 13.487964 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant

Product Information

• Purity: 98%