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113400-91-2 | 1H-1,2,4-Triazole, 5-(2-chlorophenyl)-3-(2-fluorophenyl)-1-methyl-
CAS No: 113400-91-2 Catalog No: AG0008FN MDL No:
Product Description
Catalog Number:
AG0008FN
Chemical Name:
1H-1,2,4-Triazole, 5-(2-chlorophenyl)-3-(2-fluorophenyl)-1-methyl-
CAS Number:
113400-91-2
Molecular Formula:
C15H11ClFN3
Molecular Weight:
287.7193
IUPAC Name:
5-(2-chlorophenyl)-3-(2-fluorophenyl)-1-methyl-1,2,4-triazole
InChI:
InChI=1S/C15H11ClFN3/c1-20-15(10-6-2-4-8-12(10)16)18-14(19-20)11-7-3-5-9-13(11)17/h2-9H,1H3
InChI Key:
WSUBGLKRQMXZLK-UHFFFAOYSA-N
SMILES:
Fc1ccccc1c1nc(n(n1)C)c1ccccc1Cl
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.063g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.722g/mol
Monoisotopic Mass:
287.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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