2-(tributylstannyl)-1,3-benzoxazole

• ChemBase ID: 812652
• Molecular Formular: C19H31NOSn
• Molecular Mass: 408.15654
• Monoisotopic Mass: 409.14275862
• SMILES: c12oc(nc1cccc2)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1nc2c(o1)cccc2)(CCCC)CCCC
• InChI: InChI=1S/C7H4NO.3C4H9.Sn/c1-2-4-7-6(3-1)8-5-9-7;3*1-3-4-2;/h1-4H;3*1,3-4H2,2H3
• InChIKey: RXRSGOBSSXLBES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(tributylstannyl)-1,3-benzoxazole
• IUPAC Traditional name: 2-(tributylstannyl)-1,3-benzoxazole
• Synonyms: 2-(TRIBUTYLSTANNYL)BENZOXAZOLE

Database IDs

• CAS Number: 105494-68-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.4173794
• LogD (pH = 7.4): 5.4174
• Log P: 5.4174
• Molar Refractivity: 90.0284 cm^3
• Polarizability: 41.218365 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%