1-benzofuran-2-yltributylstannane

• ChemBase ID: 13712
• Molecular Formular: C20H32OSn
• Molecular Mass: 407.16848
• Monoisotopic Mass: 408.14750964
• SMILES: o1c(cc2c1cccc2)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1cc2c(o1)cccc2)(CCCC)CCCC
• InChI: InChI=1S/C8H5O.3C4H9.Sn/c1-2-4-8-7(3-1)5-6-9-8;3*1-3-4-2;/h1-5H;3*1,3-4H2,2H3
• InChIKey: QNUISEYPCDPLDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzofuran-2-yltributylstannane
• IUPAC Traditional name: 1-benzofuran-2-yltributylstannane
• Synonyms: 2-Tributylstannylbenzo[b]furan

Database IDs

• CAS Number: 148961-81-3
• MDL Number: MFCD01319066
• PubChem SID: 160977019
• PubChem CID: 3825856

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.3524
• LogD (pH = 7.4): 5.3524
• Log P: 5.3524
• Molar Refractivity: 91.9844 cm^3
• Polarizability: 42.079884 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT, KEEP COLD, TOXIC
• TSCA Listed: false