Home Carboxys 4-[4-(Trifluoromethoxy)phenyl]pyrimidine-2-carboxylic acid

4-[4-(Trifluoromethoxy)phenyl]pyrimidine-2-carboxylic acid

CAS No.:
912850-80-7
Catalog Number:
AG00H4SV
Molecular Formula:
C12H7F3N2O3
Molecular Weight:
284.1908
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Product Description
Catalog Number:
AG00H4SV
Chemical Name:
4-[4-(Trifluoromethoxy)phenyl]pyrimidine-2-carboxylic acid
CAS Number:
912850-80-7
Molecular Formula:
C12H7F3N2O3
Molecular Weight:
284.1908
MDL Number:
MFCD28040092
IUPAC Name:
4-[4-(trifluoromethoxy)phenyl]pyrimidine-2-carboxylic acid
InChI:
InChI=1S/C12H7F3N2O3/c13-12(14,15)20-8-3-1-7(2-4-8)9-5-6-16-10(17-9)11(18)19/h1-6H,(H,18,19)
InChI Key:
AGACHTKPJROYAY-UHFFFAOYSA-N
SMILES:
OC(=O)c1nccc(n1)c1ccc(cc1)OC(F)(F)F
Properties
Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.041g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
284.194g/mol
Monoisotopic Mass:
284.041g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties