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Home > Fluorides > 116850-64-7
116850-64-7 | 4H-1,2,4-Triazole, 4-ethyl-3-(2-fluorophenyl)-5-(methylthio)-
CAS No: 116850-64-7 Catalog No: AG000DAN MDL No:
Product Description
Catalog Number:
AG000DAN
Chemical Name:
4H-1,2,4-Triazole, 4-ethyl-3-(2-fluorophenyl)-5-(methylthio)-
CAS Number:
116850-64-7
Molecular Formula:
C11H12FN3S
Molecular Weight:
237.2965
IUPAC Name:
4-ethyl-3-(2-fluorophenyl)-5-methylsulfanyl-1,2,4-triazole
InChI:
InChI=1S/C11H12FN3S/c1-3-15-10(13-14-11(15)16-2)8-6-4-5-7-9(8)12/h4-7H,3H2,1-2H3
InChI Key:
ABJXTKLEFREOEP-UHFFFAOYSA-N
SMILES:
CSc1nnc(n1CC)c1ccccc1F
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.296g/mol
Monoisotopic Mass:
237.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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