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Home > Imidazoles > 73507-38-7
73507-38-7 | BENZO[D]IMIDAZOLE GOLD(III) NEODECANOATE
CAS No: 73507-38-7 Catalog No: AG008QWW MDL No:
Product Description
Catalog Number:
AG008QWW
Chemical Name:
BENZO[D]IMIDAZOLE GOLD(III) NEODECANOATE
CAS Number:
73507-38-7
Molecular Formula:
C37H63AuN2O6
Molecular Weight:
828.8725
IUPAC Name:
1H-benzimidazole;7,7-dimethyloctanoate;gold(3+)
InChI:
InChI=1S/3C10H20O2.C7H6N2.Au/c3*1-10(2,3)8-6-4-5-7-9(11)12;1-2-4-7-6(3-1)8-5-9-7;/h3*4-8H2,1-3H3,(H,11,12);1-5H,(H,8,9);/q;;;;+3/p-3
InChI Key:
RCWCVTDKSOKUOQ-UHFFFAOYSA-K
SMILES:
c1ccc2c(c1)[nH]cn2.[O-]C(=O)CCCCCC(C)(C)C.[O-]C(=O)CCCCCC(C)(C)C.[O-]C(=O)CCCCCC(C)(C)C.[Au+3]
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
828.435g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
828.886g/mol
Monoisotopic Mass:
828.435g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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