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Home > Fluorides > 196861-98-0
196861-98-0 | 1-[1-(4-Fluorophenyl)-2-(trimethylsilyl)ethyl]-1H-1,2,3-benzotriazole
CAS No: 196861-98-0 Catalog No: AG01EUH5 MDL No:MFCD00971195
Product Description
Catalog Number:
AG01EUH5
Chemical Name:
1-[1-(4-Fluorophenyl)-2-(trimethylsilyl)ethyl]-1H-1,2,3-benzotriazole
CAS Number:
196861-98-0
Molecular Formula:
C17H20FN3Si
Molecular Weight:
313.4447
MDL Number:
MFCD00971195
IUPAC Name:
[2-(benzotriazol-1-yl)-2-(4-fluorophenyl)ethyl]-trimethylsilane
InChI:
InChI=1S/C17H20FN3Si/c1-22(2,3)12-17(13-8-10-14(18)11-9-13)21-16-7-5-4-6-15(16)19-20-21/h4-11,17H,12H2,1-3H3
InChI Key:
UWUDMHSUJDUWKZ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(n1nnc2c1cccc2)C[Si](C)(C)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.141g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.451g/mol
Monoisotopic Mass:
313.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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