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145546-31-2

145546-31-2 | 1H-Indole-1-carboxylic acid, 2-(tributylstannyl)-, 1,1-dimethylethyl ester

CAS No: 145546-31-2 Catalog No: AG001D69 MDL No:

Product Description

Catalog Number:
AG001D69
Chemical Name:
1H-Indole-1-carboxylic acid, 2-(tributylstannyl)-, 1,1-dimethylethyl ester
CAS Number:
145546-31-2
Molecular Formula:
C25H41NO2Sn
Molecular Weight:
506.2995
IUPAC Name:
tert-butyl 2-tributylstannylindole-1-carboxylate
InChI:
InChI=1S/C13H14NO2.3C4H9.Sn/c1-13(2,3)16-12(15)14-9-8-10-6-4-5-7-11(10)14;3*1-3-4-2;/h4-8H,1-3H3;3*1,3-4H2,2H3;
InChI Key:
JEISMGQGKKUJID-UHFFFAOYSA-N
SMILES:
CCCC[Sn](c1cc2c(n1C(=O)OC(C)(C)C)cccc2)(CCCC)CCCC

Properties

Complexity:
480  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
507.216g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
506.318g/mol
Monoisotopic Mass:
507.216g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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