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

2-(trifluoromethyl)pyrimidine-5-carboxamide

CAS No.:
1378340-42-1
Catalog Number:
AG01AFMT
Molecular Formula:
C6H4F3N3O
Molecular Weight:
191.1107
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Product Description
Catalog Number:
AG01AFMT
Chemical Name:
2-(trifluoromethyl)pyrimidine-5-carboxamide
CAS Number:
1378340-42-1
Molecular Formula:
C6H4F3N3O
Molecular Weight:
191.1107
MDL Number:
MFCD18905731
IUPAC Name:
2-(trifluoromethyl)pyrimidine-5-carboxamide
InChI:
InChI=1S/C6H4F3N3O/c7-6(8,9)5-11-1-3(2-12-5)4(10)13/h1-2H,(H2,10,13)
InChI Key:
OKRNBFHZDGTDRX-UHFFFAOYSA-N
SMILES:
NC(=O)c1cnc(nc1)C(F)(F)F
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.031g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.113g/mol
Monoisotopic Mass:
191.031g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties