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149771-24-4 | 5-Pyrimidinecarboxylic acid, 2-methyl-4-(trifluoromethyl)-
CAS No: 149771-24-4 Catalog No: AG001M0G MDL No:MFCD06409005
Product Description
Catalog Number:
AG001M0G
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-methyl-4-(trifluoromethyl)-
CAS Number:
149771-24-4
Molecular Formula:
C7H5F3N2O2
Molecular Weight:
206.1220
MDL Number:
MFCD06409005
IUPAC Name:
2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C7H5F3N2O2/c1-3-11-2-4(6(13)14)5(12-3)7(8,9)10/h2H,1H3,(H,13,14)
InChI Key:
BECLGVAKEOAIAW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(nc1C(F)(F)F)C
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
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