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Home > Fluorides > 116850-65-8
116850-65-8 | 4H-1,2,4-Triazole, 3-(ethylsulfinyl)-5-(2-fluorophenyl)-4-methyl-
CAS No: 116850-65-8 Catalog No: AG000DAM MDL No:
Product Description
Catalog Number:
AG000DAM
Chemical Name:
4H-1,2,4-Triazole, 3-(ethylsulfinyl)-5-(2-fluorophenyl)-4-methyl-
CAS Number:
116850-65-8
Molecular Formula:
C11H12FN3OS
Molecular Weight:
253.2959
IUPAC Name:
3-ethylsulfinyl-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole
InChI:
InChI=1S/C11H12FN3OS/c1-3-17(16)11-14-13-10(15(11)2)8-6-4-5-7-9(8)12/h4-7H,3H2,1-2H3
InChI Key:
MTPOCJZXHNQTCO-UHFFFAOYSA-N
SMILES:
CCS(=O)c1nnc(n1C)c1ccccc1F
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.295g/mol
Monoisotopic Mass:
253.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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