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89804-60-4 | 1H-1,2,4-Triazole, 1-methyl-3-phenyl-5-[4-(trifluoromethyl)phenyl]-
CAS No: 89804-60-4 Catalog No: AG003Z0G MDL No:
Product Description
Catalog Number:
AG003Z0G
Chemical Name:
1H-1,2,4-Triazole, 1-methyl-3-phenyl-5-[4-(trifluoromethyl)phenyl]-
CAS Number:
89804-60-4
Molecular Formula:
C16H12F3N3
Molecular Weight:
303.2818
IUPAC Name:
1-methyl-3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazole
InChI:
InChI=1S/C16H12F3N3/c1-22-15(12-7-9-13(10-8-12)16(17,18)19)20-14(21-22)11-5-3-2-4-6-11/h2-10H,1H3
InChI Key:
IMVQQRKABWCHSA-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)c1nc(nn1C)c1ccccc1)(F)F
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.098g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.288g/mol
Monoisotopic Mass:
303.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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