1,3-bis(3,5-dideuterio-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)propan-2-ol


Chemical Name: 1,3-bis(3,5-dideuterio-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)propan-2-ol
CAS Number: 86386-73-4
Product Number: AG000KX6(AGN-PC-04XESC)
Synonyms:
MDL No: MFCD00274549
Molecular Formula: C13H12F2N6O
Molecular Weight: 306.2708

Identification/Properties


Properties
MP:
138-140°C
Storage:
2-8℃;
Form:
Solid
Solubility:
DMSO: 5 mg/mL
Computed Properties
Molecular Weight:
306.277g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
5
Exact Mass:
306.104g/mol
Monoisotopic Mass:
306.104g/mol
Topological Polar Surface Area:
81.6A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
358
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
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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