Home Other Building Blocks 5-ethynyl-2-(trifluoromethyl)pyrimidine

5-ethynyl-2-(trifluoromethyl)pyrimidine

CAS No.:
1196153-54-4
Catalog Number:
AG01C3GU
Molecular Formula:
C7H3F3N2
Molecular Weight:
172.1073
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Product Description
Catalog Number:
AG01C3GU
Chemical Name:
5-ethynyl-2-(trifluoromethyl)pyrimidine
CAS Number:
1196153-54-4
Molecular Formula:
C7H3F3N2
Molecular Weight:
172.1073
MDL Number:
MFCD13189790
IUPAC Name:
5-ethynyl-2-(trifluoromethyl)pyrimidine
InChI:
InChI=1S/C7H3F3N2/c1-2-5-3-11-6(12-4-5)7(8,9)10/h1,3-4H
InChI Key:
NJWZDSMEXLPWFU-UHFFFAOYSA-N
SMILES:
C#Cc1cnc(nc1)C(F)(F)F
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.025g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.11g/mol
Monoisotopic Mass:
172.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties