200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 116850-53-4
116850-53-4 | 4H-1,2,4-Triazole, 3-(2-fluorophenyl)-4-methyl-5-(methylsulfinyl)-
CAS No: 116850-53-4 Catalog No: AG000DAX MDL No:
Product Description
Catalog Number:
AG000DAX
Chemical Name:
4H-1,2,4-Triazole, 3-(2-fluorophenyl)-4-methyl-5-(methylsulfinyl)-
CAS Number:
116850-53-4
Molecular Formula:
C10H10FN3OS
Molecular Weight:
239.2693
IUPAC Name:
3-(2-fluorophenyl)-4-methyl-5-methylsulfinyl-1,2,4-triazole
InChI:
InChI=1S/C10H10FN3OS/c1-14-9(12-13-10(14)16(2)15)7-5-3-4-6-8(7)11/h3-6H,1-2H3
InChI Key:
CNROQGMFSMASNW-UHFFFAOYSA-N
SMILES:
Fc1ccccc1c1nnc(n1C)S(=O)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.268g/mol
Monoisotopic Mass:
239.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.