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73927-93-2 | Benzoic acid, 2-iodo-,tributylstannyl ester
CAS No: 73927-93-2 Catalog No: AG005AHF MDL No:
Product Description
Catalog Number:
AG005AHF
Chemical Name:
Benzoic acid, 2-iodo-,tributylstannyl ester
CAS Number:
73927-93-2
Molecular Formula:
C19H31IO2Sn
Molecular Weight:
537.0537
IUPAC Name:
tributylstannyl 2-iodobenzoate
InChI:
InChI=1S/C7H5IO2.3C4H9.Sn/c8-6-4-2-1-3-5(6)7(9)10;3*1-3-4-2;/h1-4H,(H,9,10);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChI Key:
DJGLVFXPYMMDKC-UHFFFAOYSA-M
SMILES:
CCCC[Sn](OC(=O)c1ccccc1I)(CCCC)CCCC
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
538.039g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
537.069g/mol
Monoisotopic Mass:
538.039g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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