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Home > Fluorides > 116850-50-1
116850-50-1 | 4H-1,2,4-Triazole, 3-(2-fluorophenyl)-4-methyl-5-(methylthio)-
CAS No: 116850-50-1 Catalog No: AG000DB0 MDL No:
Product Description
Catalog Number:
AG000DB0
Chemical Name:
4H-1,2,4-Triazole, 3-(2-fluorophenyl)-4-methyl-5-(methylthio)-
CAS Number:
116850-50-1
Molecular Formula:
C10H10FN3S
Molecular Weight:
223.2699
IUPAC Name:
3-(2-fluorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole
InChI:
InChI=1S/C10H10FN3S/c1-14-9(12-13-10(14)15-2)7-5-3-4-6-8(7)11/h3-6H,1-2H3
InChI Key:
UJWIBWHLVITCSR-UHFFFAOYSA-N
SMILES:
CSc1nnc(n1C)c1ccccc1F
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.269g/mol
Monoisotopic Mass:
223.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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