Home Carboxys 2-(Trifluoromethyl)pyrimidine-4-carboxylic acid

2-(Trifluoromethyl)pyrimidine-4-carboxylic acid

CAS No.:
878742-59-7
Catalog Number:
AG0036BN
Molecular Formula:
C6H3F3N2O2
Molecular Weight:
192.0954
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Product Description
Catalog Number:
AG0036BN
Chemical Name:
2-(Trifluoromethyl)pyrimidine-4-carboxylic acid
CAS Number:
878742-59-7
Molecular Formula:
C6H3F3N2O2
Molecular Weight:
192.0954
MDL Number:
MFCD15526666
IUPAC Name:
2-(trifluoromethyl)pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C6H3F3N2O2/c7-6(8,9)5-10-2-1-3(11-5)4(12)13/h1-2H,(H,12,13)
InChI Key:
HGFBZPMMYNDNLR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(n1)C(F)(F)F
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.015g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.097g/mol
Monoisotopic Mass:
192.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties