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1404104-40-0 | (OC-6-33)-tricarbonyl(1,10-phenanthroline-κN1,κN10)[4-(2H-tetrazol-5-yl-κN2)pyridinato]-rhenium
CAS No: 1404104-40-0 Catalog No: AG01EQB0 MDL No:
Product Description
Catalog Number:
AG01EQB0
Chemical Name:
(OC-6-33)-tricarbonyl(1,10-phenanthroline-κN1,κN10)[4-(2H-tetrazol-5-yl-κN2)pyridinato]-rhenium
CAS Number:
1404104-40-0
Molecular Formula:
C21H12N7O3Re
Molecular Weight:
596.5721
IUPAC Name:
carbon monoxide;1,10-phenanthroline;rhenium;4-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine
InChI:
InChI=1S/C12H8N2.C6H4N5.3CO.Re/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-3-7-4-2-5(1)6-8-10-11-9-6;3*1-2;/h1-8H;1-4H;;;;/q;-1;;;;
InChI Key:
GGYCJXCZGIQNIL-UHFFFAOYSA-N
SMILES:
[O]#C[Re+]1(C#[O])(C#[O])([n-]2nnc(n2)c2ccncc2)n2cccc3c2c2n1cccc2cc3
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
6
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
597.056g/mol
Formal Charge:
-1
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
596.58g/mol
Monoisotopic Mass:
597.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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