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89522-06-5 | 1H-1,2,4-Triazole, 1-(3-chlorophenyl)-5-(methylthio)-3-(trifluoromethyl)-
CAS No: 89522-06-5 Catalog No: AG003ZUJ MDL No:
Product Description
Catalog Number:
AG003ZUJ
Chemical Name:
1H-1,2,4-Triazole, 1-(3-chlorophenyl)-5-(methylthio)-3-(trifluoromethyl)-
CAS Number:
89522-06-5
Molecular Formula:
C10H7ClF3N3S
Molecular Weight:
293.6959
IUPAC Name:
1-(3-chlorophenyl)-5-methylsulfanyl-3-(trifluoromethyl)-1,2,4-triazole
InChI:
InChI=1S/C10H7ClF3N3S/c1-18-9-15-8(10(12,13)14)16-17(9)7-4-2-3-6(11)5-7/h2-5H,1H3
InChI Key:
WJOHJZWPWOMNII-UHFFFAOYSA-N
SMILES:
CSc1nc(nn1c1cccc(c1)Cl)C(F)(F)F
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.692g/mol
Monoisotopic Mass:
293g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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