Home Carboxys 6-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid

6-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid

CAS No.:
945717-59-9
Catalog Number:
AG01AE48
Molecular Formula:
C7H5F3N2O2
Molecular Weight:
206.1220
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Product Description
Catalog Number:
AG01AE48
Chemical Name:
6-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
CAS Number:
945717-59-9
Molecular Formula:
C7H5F3N2O2
Molecular Weight:
206.1220
MDL Number:
MFCD19440056
IUPAC Name:
6-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C7H5F3N2O2/c1-3-2-4(5(13)14)12-6(11-3)7(8,9)10/h2H,1H3,(H,13,14)
InChI Key:
VKOUHIRYZHKQOR-UHFFFAOYSA-N
SMILES:
Cc1cc(nc(n1)C(F)(F)F)C(=O)O
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.03g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.124g/mol
Monoisotopic Mass:
206.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties