Fluconazole-d4


Chemical Name: Fluconazole-d4
CAS Number: 1124197-58-5
Product Number: AG0082NE(AGN-PC-0WAG14)
Synonyms:
MDL No:
Molecular Formula: C13H8D4F2N6O
Molecular Weight: 310.2954

Identification/Properties


Computed Properties
Molecular Weight:
310.301g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
5
Exact Mass:
310.129g/mol
Monoisotopic Mass:
310.129g/mol
Topological Polar Surface Area:
81.6A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
358
Isotope Atom Count:
4
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

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NMR Spectrum


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