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Home > Fluorides > 116850-47-6
116850-47-6 | 4H-1,2,4-Triazole, 3-(2-fluorophenyl)-4-methyl-5-(methylsulfonyl)-
CAS No: 116850-47-6 Catalog No: AG000DB2 MDL No:
Product Description
Catalog Number:
AG000DB2
Chemical Name:
4H-1,2,4-Triazole, 3-(2-fluorophenyl)-4-methyl-5-(methylsulfonyl)-
CAS Number:
116850-47-6
Molecular Formula:
C10H10FN3O2S
Molecular Weight:
255.2687
IUPAC Name:
3-(2-fluorophenyl)-4-methyl-5-methylsulfonyl-1,2,4-triazole
InChI:
InChI=1S/C10H10FN3O2S/c1-14-9(7-5-3-4-6-8(7)11)12-13-10(14)17(2,15)16/h3-6H,1-2H3
InChI Key:
YGMQOVFCJMPTRH-UHFFFAOYSA-N
SMILES:
Fc1ccccc1c1nnc(n1C)S(=O)(=O)C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.267g/mol
Monoisotopic Mass:
255.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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