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100567-92-8 | 1H-1,2,4-Triazole-1-ethanol, α-(2,4-difluorophenyl)-α-(4-fluorophenyl)-
CAS No: 100567-92-8 Catalog No: AG0002CD MDL No:
Product Description
Catalog Number:
AG0002CD
Chemical Name:
1H-1,2,4-Triazole-1-ethanol, α-(2,4-difluorophenyl)-α-(4-fluorophenyl)-
CAS Number:
100567-92-8
Molecular Formula:
C16H12F3N3O
Molecular Weight:
319.2812
IUPAC Name:
2-[5-(2,4-difluorophenyl)-3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol
InChI:
InChI=1S/C16H12F3N3O/c17-11-3-1-10(2-4-11)15-20-16(22(21-15)7-8-23)13-6-5-12(18)9-14(13)19/h1-6,9,23H,7-8H2
InChI Key:
MFBVCZHFRCJUHT-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(c1ccc(cc1F)F)(Cn1cncn1)O
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.093g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.287g/mol
Monoisotopic Mass:
319.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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