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Home Other Building Blocks 2-Amino-4-hydroxy-6-(trifluoromethyl)pyrimidine

2-Amino-4-hydroxy-6-(trifluoromethyl)pyrimidine

CAS No.:
1513-69-5
Catalog Number:
AG001N9L
Molecular Formula:
C5H4F3N3O
Molecular Weight:
179.1000
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$25
- +
5g
95%
In Stock USA
United States
$82
- +
25g
95%
In Stock USA
United States
$244
- +
Product Description
Catalog Number:
AG001N9L
Chemical Name:
2-Amino-4-hydroxy-6-(trifluoromethyl)pyrimidine
CAS Number:
1513-69-5
Molecular Formula:
C5H4F3N3O
Molecular Weight:
179.1000
MDL Number:
MFCD00068093
IUPAC Name:
2-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C5H4F3N3O/c6-5(7,8)2-1-3(12)11-4(9)10-2/h1H,(H3,9,10,11,12)
InChI Key:
ZEPSVMLZBXDPGU-UHFFFAOYSA-N
SMILES:
FC(c1nc(N)[nH]c(=O)c1)(F)F
NSC Number:
33034
Properties
Complexity:
278  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.031g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
179.102g/mol
Monoisotopic Mass:
179.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Literature
Title Journal
Simulation of IR and Raman spectral based on scaled DFT force fields: a case study of 2-amino 4-hydroxy 6-trifluoromethylpyrimidine, with emphasis on band assignment. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081115
Properties