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13154-96-6 | Benzoic acid, 2-amino-, tributylstannyl ester
CAS No: 13154-96-6 Catalog No: AG000ZDW MDL No:
Product Description
Catalog Number:
AG000ZDW
Chemical Name:
Benzoic acid, 2-amino-, tributylstannyl ester
CAS Number:
13154-96-6
Molecular Formula:
C19H33NO2Sn
Molecular Weight:
426.1718
IUPAC Name:
tributylstannyl 2-aminobenzoate
InChI:
InChI=1S/C7H7NO2.3C4H9.Sn/c8-6-4-2-1-3-5(6)7(9)10;3*1-3-4-2;/h1-4H,8H2,(H,9,10);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChI Key:
VMBHDPBUASBZAG-UHFFFAOYSA-M
SMILES:
CCCC[Sn](OC(=O)c1ccccc1N)(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:
427.153g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
426.188g/mol
Monoisotopic Mass:
427.153g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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