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Home > Fluorides > 116850-66-9
116850-66-9 | 4H-1,2,4-Triazole, 3-(ethylsulfonyl)-5-(2-fluorophenyl)-4-methyl-
CAS No: 116850-66-9 Catalog No: AG000DAL MDL No:
Product Description
Catalog Number:
AG000DAL
Chemical Name:
4H-1,2,4-Triazole, 3-(ethylsulfonyl)-5-(2-fluorophenyl)-4-methyl-
CAS Number:
116850-66-9
Molecular Formula:
C11H12FN3O2S
Molecular Weight:
269.2953
IUPAC Name:
3-ethylsulfonyl-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole
InChI:
InChI=1S/C11H12FN3O2S/c1-3-18(16,17)11-14-13-10(15(11)2)8-6-4-5-7-9(8)12/h4-7H,3H2,1-2H3
InChI Key:
CNEAOFIRLZNTDC-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1nnc(n1C)c1ccccc1F
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.063g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.294g/mol
Monoisotopic Mass:
269.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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