2-Phenylbenzoxazole

• Catalog Number: ACM833501-1
• Product Name: 2-Phenylbenzoxazole
• CAS: 833-50-1
• Category: Heterocyclic Organic Compound
• Synonyms: 2-Phenylbenzo[d]oxazole; Benzoxazole, 2-phenyl-
• IUPAC Name: 2-phenyl-1,3-benzoxazole
• Molecular Weight: 195.22
• Molecular Formula: C13H9NO
• Canonical SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3O2
• InChI: FIISKTXZUZBTRC-UHFFFAOYSA-N
• InChI Key: InChI=1S/C13H9NO/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H
• Melting Point: 102-104 °C-lit.
• Appearance: Solid
• Complexity: 213
• Covalently-Bonded Unit Count: 1
• Exact Mass: 195.068413911
• H-Bond Acceptor: 2
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 0
• Monoisotopic Mass: 195.068413911
• NSC Number: 406946
• Octanol Water Partition Coefficient: 3.67 (LogP)
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 26 Ų