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Home > Fluorides > 113576-69-5
113576-69-5 | 1H-1,2,4-Triazole, 1-[[bis(4-fluorophenyl)methylsilyl]methyl]-5-iodo-
CAS No: 113576-69-5 Catalog No: AG000915 MDL No:
Product Description
Catalog Number:
AG000915
Chemical Name:
1H-1,2,4-Triazole, 1-[[bis(4-fluorophenyl)methylsilyl]methyl]-5-iodo-
CAS Number:
113576-69-5
Molecular Formula:
C16H14F2IN3Si
Molecular Weight:
441.2892
IUPAC Name:
bis(4-fluorophenyl)methyl-[(5-iodo-1,2,4-triazol-1-yl)methyl]silane
InChI:
InChI=1S/C16H14F2IN3Si/c17-13-5-1-11(2-6-13)15(12-3-7-14(18)8-4-12)23-10-22-16(19)20-9-21-22/h1-9,15H,10,23H2
InChI Key:
YAAJCJLYETXODL-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(c1ccc(cc1)F)[SiH2]Cn1ncnc1I
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.997g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
441.295g/mol
Monoisotopic Mass:
440.997g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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