Home Nitros 5-nitro-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

5-nitro-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

CAS No.:
652-43-7
Catalog Number:
AG01E96D
Molecular Formula:
C5H2F3N3O4
Molecular Weight:
225.0823
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Product Description
Catalog Number:
AG01E96D
Chemical Name:
5-nitro-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CAS Number:
652-43-7
Molecular Formula:
C5H2F3N3O4
Molecular Weight:
225.0823
MDL Number:
MFCD01011763
IUPAC Name:
5-nitro-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C5H2F3N3O4/c6-5(7,8)2-1(11(14)15)3(12)10-4(13)9-2/h(H2,9,10,12,13)
InChI Key:
BOZXEOUYOAGQOK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(=O)[nH]c(=O)[nH]c1C(F)(F)F
NSC Number:
400846
Properties
Complexity:
380  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
225.083g/mol
Monoisotopic Mass:
225g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties