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Home > Fluorides > 116850-62-5
116850-62-5 | 1H-1,2,4-Triazole, 3-(4-fluorophenyl)-5-(methylthio)-
CAS No: 116850-62-5 Catalog No: AG000DAP MDL No:
Product Description
Catalog Number:
AG000DAP
Chemical Name:
1H-1,2,4-Triazole, 3-(4-fluorophenyl)-5-(methylthio)-
CAS Number:
116850-62-5
Molecular Formula:
C9H8FN3S
Molecular Weight:
209.2433
IUPAC Name:
5-(4-fluorophenyl)-3-methylsulfanyl-1H-1,2,4-triazole
InChI:
InChI=1S/C9H8FN3S/c1-14-9-11-8(12-13-9)6-2-4-7(10)5-3-6/h2-5H,1H3,(H,11,12,13)
InChI Key:
XGIQPISRUKLECF-UHFFFAOYSA-N
SMILES:
CSc1[nH]nc(n1)c1ccc(cc1)F
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.242g/mol
Monoisotopic Mass:
209.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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