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100567-96-2 | 1H-1,2,4-Triazole-1-ethanol, α-(2-chloro-4-fluorophenyl)-α-(4-fluorophenyl)-
CAS No: 100567-96-2 Catalog No: AG0002CB MDL No:
Product Description
Catalog Number:
AG0002CB
Chemical Name:
1H-1,2,4-Triazole-1-ethanol, α-(2-chloro-4-fluorophenyl)-α-(4-fluorophenyl)-
CAS Number:
100567-96-2
Molecular Formula:
C16H12ClF2N3O
Molecular Weight:
335.7358
IUPAC Name:
2-[5-(2-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol
InChI:
InChI=1S/C16H12ClF2N3O/c17-14-9-12(19)5-6-13(14)16-20-15(21-22(16)7-8-23)10-1-3-11(18)4-2-10/h1-6,9,23H,7-8H2
InChI Key:
PBNPCYCGGFNFJX-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(c1ccc(cc1Cl)F)(Cn1cncn1)O
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.064g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.739g/mol
Monoisotopic Mass:
335.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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