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105494-68-6

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Basic Information
CAS No.: 105494-68-6
Name: 2-(TRIBUTYLSTANNYL)BENZOXAZOLE
Molecular Structure:
Molecular Structure of 105494-68-6 (2-(TRIBUTYLSTANNYL)BENZOXAZOLE)
Formula: C19H31NOSn
Molecular Weight: 408.171
Synonyms: 2-(Tributylstannyl)benzoxazole;
Boiling Point: 404.5 ºC at 760 mmHg
Flash Point: 198.4 ºC
PSA: 26.03000
LogP: 5.88390
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Specification

The CAS registry number of Benzoxazole,2-(tributylstannyl)- is 105494-68-6. This chemical's molecular formula is C19H31NOSn and molecular weight is 408.17. What's more, its systematic name is called 2-(Tributylstannanyl)-1,3-benzoxazole.

Physical properties about Benzoxazole,2-(tributylstannyl)- are: (1)ACD/LogP: 10.26; (2)#of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 10; (6)Polar Surface Area: 26.03 Å2; (7)Flash Point: 198.4 °C; (8)Enthalpy of Vaporization: 63.04 kJ/mol; (9)Boiling Point: 404.5 °C at 760 mmHg; (10)Vapour Pressure: 2.2E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1c2ccccc2oc1[Sn](CCCC)(CCCC)CCCC
(2) InChI: InChI=1/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;/rC19H31NOSn/c1-4-7-14-22(15-8-5-2,16-9-6-3)19-20-17-12-10-11-13-18(17)21-19/h10-13H,4-9,14-16H2,1-3H3
(3) InChIKey: RXRSGOBSSXLBES-NWHAISRHAG