Home Other Building Blocks 3-Fluoro-4-(trifluoromethyl)pyridin-2(1H)-one

3-Fluoro-4-(trifluoromethyl)pyridin-2(1H)-one

CAS No.:
1227594-89-9
Catalog Number:
AG000JD6
Molecular Formula:
C6H3F4NO
Molecular Weight:
181.0877
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$180
- +
1g
95%
1 week
United States
$391
- +
5g
95%
1 week
United States
$1096
- +
Product Description
Catalog Number:
AG000JD6
Chemical Name:
3-Fluoro-4-(trifluoromethyl)pyridin-2(1H)-one
CAS Number:
1227594-89-9
Molecular Formula:
C6H3F4NO
Molecular Weight:
181.0877
MDL Number:
MFCD16611126
IUPAC Name:
3-fluoro-4-(trifluoromethyl)-1H-pyridin-2-one
InChI:
InChI=1S/C6H3F4NO/c7-4-3(6(8,9)10)1-2-11-5(4)12/h1-2H,(H,11,12)
InChI Key:
CUVQCPUTFJFSFU-UHFFFAOYSA-N
SMILES:
O=c1[nH]ccc(c1F)C(F)(F)F
Properties
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.015g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.09g/mol
Monoisotopic Mass:
181.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties