Home Carboxys 2-Hydroxy-4-trifluoromethyl-pyrimidine-5-carboxylic acid ethyl ester

2-Hydroxy-4-trifluoromethyl-pyrimidine-5-carboxylic acid ethyl ester

CAS No.:
154934-97-1
Catalog Number:
AG001NH6
Molecular Formula:
C8H7F3N2O3
Molecular Weight:
236.1480
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$66
- +
5g
95%
1 week
United States
$134
- +
25g
95%
1 week
United States
$330
- +
Product Description
Catalog Number:
AG001NH6
Chemical Name:
2-Hydroxy-4-trifluoromethyl-pyrimidine-5-carboxylic acid ethyl ester
CAS Number:
154934-97-1
Molecular Formula:
C8H7F3N2O3
Molecular Weight:
236.1480
MDL Number:
MFCD12131133
IUPAC Name:
ethyl 2-oxo-6-(trifluoromethyl)-1H-pyrimidine-5-carboxylate
InChI:
InChI=1S/C8H7F3N2O3/c1-2-16-6(14)4-3-12-7(15)13-5(4)8(9,10)11/h3H,2H2,1H3,(H,12,13,15)
InChI Key:
NDYMZBLTCALOTK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(=O)[nH]c1C(F)(F)F
Properties
Complexity:
385  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.041g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.15g/mol
Monoisotopic Mass:
236.041g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties