5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid hydrate


Chemical Name: 5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid hydrate
CAS Number: 220141-70-8
Product Number: AG00BBOY(AGN-PC-0WABEE)
Synonyms:
MDL No:
Molecular Formula: C5H5FN2O5
Molecular Weight: 192.1020

Identification/Properties


Properties
MP:
278°C (dec.)(lit.)
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
192.102g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
192.018g/mol
Monoisotopic Mass:
192.018g/mol
Topological Polar Surface Area:
96.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
309
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:
2
Compound Is Canonicalized:
Yes

Safety Information


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

NMR Spectrum


Other Analytical Data


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