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1216616-31-7 | 2(1H)-Pyrimidinone-2-13C-1,3-15N2, 6-amino-5-fluoro-
CAS No: 1216616-31-7 Catalog No: AG0015J9 MDL No:
Product Description
Catalog Number:
AG0015J9
Chemical Name:
2(1H)-Pyrimidinone-2-13C-1,3-15N2, 6-amino-5-fluoro-
CAS Number:
1216616-31-7
Molecular Formula:
C4H9N3O
Molecular Weight:
118.1132
IUPAC Name:
4-amino-(213C,1,3-15N2)1,3-diazinan-2-one
InChI:
InChI=1S/C4H9N3O/c5-3-1-2-6-4(8)7-3/h3H,1-2,5H2,(H2,6,7,8)/i4+1,6+1,7+1
InChI Key:
ZUVTWPKGUDOARJ-XZQGXACKSA-N
SMILES:
NC1CC[15NH][13C](=O)[15NH]1
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.072g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
3
Molecular Weight:
118.115g/mol
Monoisotopic Mass:
118.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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