2-chloro-5-phenyl-1,3-oxazole

• ChemBase ID: 289392
• Molecular Formular: C9H6ClNO
• Molecular Mass: 179.60304
• Monoisotopic Mass: 179.0137915
• SMILES: Clc1ncc(o1)c1ccccc1
• Canonical SMILES: Clc1ncc(o1)c1ccccc1
• InChI: InChI=1S/C9H6ClNO/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-6H
• InChIKey: RQAIEHDXUZPMBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-phenyl-1,3-oxazole
• IUPAC Traditional name: 2-chloro-5-phenyl-1,3-oxazole
• Synonyms: 2-Chloro-5-phenyloxazole; 2-CHLORO-5-PHENYL-1,3-OXAZOLE

Database IDs

• CAS Number: 62124-43-0
• MDL Number: MFCD00763284
• PubChem SID: 180674923
• PubChem CID: 10997626

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.396378
• LogD (pH = 7.4): 2.396378
• Log P: 2.396378
• Molar Refractivity: 46.807 cm^3
• Polarizability: 19.27423 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%