Home Aminos 2-methyl-5-((4-(trifluoromethyl)pyrimidin-2-yl)amino)benzoic acid

2-methyl-5-((4-(trifluoromethyl)pyrimidin-2-yl)amino)benzoic acid

CAS No.:
1495407-96-9
Catalog Number:
AG01BJA9
Molecular Formula:
C13H10F3N3O2
Molecular Weight:
297.2326
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Product Description
Catalog Number:
AG01BJA9
Chemical Name:
2-methyl-5-((4-(trifluoromethyl)pyrimidin-2-yl)amino)benzoic acid
CAS Number:
1495407-96-9
Molecular Formula:
C13H10F3N3O2
Molecular Weight:
297.2326
MDL Number:
MFCD30752490
IUPAC Name:
2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid
InChI:
InChI=1S/C13H10F3N3O2/c1-7-2-3-8(6-9(7)11(20)21)18-12-17-5-4-10(19-12)13(14,15)16/h2-6H,1H3,(H,20,21)(H,17,18,19)
InChI Key:
DGUUUERWKXOYDS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1C)Nc1nccc(n1)C(F)(F)F
Properties
Complexity:
378  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.073g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
297.237g/mol
Monoisotopic Mass:
297.073g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties