sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 4-(Trifluoromethyl)pyrimidine

4-(Trifluoromethyl)pyrimidine

CAS No.:
136547-16-5
Catalog Number:
AG008025
Molecular Formula:
C5H3F3N2
Molecular Weight:
148.0859
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$415
- +
5g
95%
In Stock USA
United States
$1247
- +
Product Description
Catalog Number:
AG008025
Chemical Name:
4-(Trifluoromethyl)pyrimidine
CAS Number:
136547-16-5
Molecular Formula:
C5H3F3N2
Molecular Weight:
148.0859
MDL Number:
MFCD13186003
IUPAC Name:
4-(trifluoromethyl)pyrimidine
InChI:
InChI=1S/C5H3F3N2/c6-5(7,8)4-1-2-9-3-10-4/h1-3H
InChI Key:
BKDUWMJFLCNPKP-UHFFFAOYSA-N
SMILES:
FC(c1ccncn1)(F)F
Properties
Complexity:
112  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.025g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.088g/mol
Monoisotopic Mass:
148.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
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