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Home Other Building Blocks 4-(Trifluoromethyl)pyrimidin-2(1h)-one

4-(Trifluoromethyl)pyrimidin-2(1h)-one

CAS No.:
104048-92-2
Catalog Number:
AG003HE8
Molecular Formula:
C5H3F3N2O
Molecular Weight:
164.0853
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$18
- +
25g
98%
In Stock USA
United States
$63
- +
100g
98%
In Stock USA
United States
$213
- +
Product Description
Catalog Number:
AG003HE8
Chemical Name:
4-(Trifluoromethyl)pyrimidin-2(1h)-one
CAS Number:
104048-92-2
Molecular Formula:
C5H3F3N2O
Molecular Weight:
164.0853
MDL Number:
MFCD00192529
IUPAC Name:
6-(trifluoromethyl)-1H-pyrimidin-2-one
InChI:
InChI=1S/C5H3F3N2O/c6-5(7,8)3-1-2-9-4(11)10-3/h1-2H,(H,9,10,11)
InChI Key:
WCEBFEVZTGLOHC-UHFFFAOYSA-N
SMILES:
O=c1[nH]ccc(n1)C(F)(F)F
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.087g/mol
Monoisotopic Mass:
164.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties