4-Pyrimidineethanol,a-(2,4-difluorophenyl)-5-fluoro-b-methyl-a-(1H-1,2,4-triazol-1-ylmethyl)-,[S-(R*,S*)]-


Chemical Name: 4-Pyrimidineethanol,a-(2,4-difluorophenyl)-5-fluoro-b-methyl-a-(1H-1,2,4-triazol-1-ylmethyl)-,[S-(R*,S*)]-
CAS Number: 137234-63-0
Product Number: AG0012YY(AGN-PC-0PLCND)
Synonyms:
MDL No:
Molecular Formula: C16H14F3N5O
Molecular Weight: 349.3105

Identification/Properties


Computed Properties
Molecular Weight:
349.317g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
5
Exact Mass:
349.115g/mol
Monoisotopic Mass:
349.115g/mol
Topological Polar Surface Area:
76.7A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
448
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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