Home Carboxys 1H-Imidazole-5-carboxylicacid, 4-methyl-2-[4-(trifluoromethoxy)phenyl]-

1H-Imidazole-5-carboxylicacid, 4-methyl-2-[4-(trifluoromethoxy)phenyl]-

CAS No.:
868851-36-9
Catalog Number:
AG004IBU
Molecular Formula:
C12H9F3N2O3
Molecular Weight:
286.2067
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Product Description
Catalog Number:
AG004IBU
Chemical Name:
1H-Imidazole-5-carboxylicacid, 4-methyl-2-[4-(trifluoromethoxy)phenyl]-
CAS Number:
868851-36-9
Molecular Formula:
C12H9F3N2O3
Molecular Weight:
286.2067
MDL Number:
MFCD08276079
IUPAC Name:
5-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole-4-carboxylic acid
InChI:
InChI=1S/C12H9F3N2O3/c1-6-9(11(18)19)17-10(16-6)7-2-4-8(5-3-7)20-12(13,14)15/h2-5H,1H3,(H,16,17)(H,18,19)
InChI Key:
GYMIAEKZKVADAB-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]c(nc1C)c1ccc(cc1)OC(F)(F)F
Properties
Complexity:
356  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.057g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
286.21g/mol
Monoisotopic Mass:
286.057g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties