Tegafur-13C,15N2


Chemical Name: Tegafur-13C,15N2
CAS Number: 1189456-27-6
Product Number: AG00780K(AGN-PC-0WAGHO)
Synonyms:
MDL No:
Molecular Formula: C8H9FN2O3
Molecular Weight: 203.1465

Identification/Properties


Computed Properties
Molecular Weight:
203.148g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
203.057g/mol
Monoisotopic Mass:
203.057g/mol
Topological Polar Surface Area:
58.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
316
Isotope Atom Count:
3
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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