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1161975-56-9 | Isoquinoline, 7-(tributylstannyl)-
CAS No: 1161975-56-9 Catalog No: AG000BVH MDL No:MFCD17015017
Product Description
Catalog Number:
AG000BVH
Chemical Name:
Isoquinoline, 7-(tributylstannyl)-
CAS Number:
1161975-56-9
Molecular Formula:
C21H33NSn
Molecular Weight:
418.1944
MDL Number:
MFCD17015017
IUPAC Name:
tributyl(isoquinolin-7-yl)stannane
InChI:
InChI=1S/C9H6N.3C4H9.Sn/c1-2-4-9-7-10-6-5-8(9)3-1;3*1-3-4-2;/h1,3-7H;3*1,3-4H2,2H3;
InChI Key:
PPOVERCSHTXLIP-UHFFFAOYSA-N
SMILES:
CCCC[Sn](c1ccc2c(c1)cncc2)(CCCC)CCCC
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.164g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.212g/mol
Monoisotopic Mass:
419.164g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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