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Home Carboxys 1-methyl-2-(trifluoromethyl)-1H-1,3-benzodiazole-5-carboxylic acid

1-methyl-2-(trifluoromethyl)-1H-1,3-benzodiazole-5-carboxylic acid

CAS No.:
1094264-29-5
Catalog Number:
AG01AK1J
Molecular Formula:
C10H7F3N2O2
Molecular Weight:
244.1700
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Product Description
Catalog Number:
AG01AK1J
Chemical Name:
1-methyl-2-(trifluoromethyl)-1H-1,3-benzodiazole-5-carboxylic acid
CAS Number:
1094264-29-5
Molecular Formula:
C10H7F3N2O2
Molecular Weight:
244.1700
MDL Number:
MFCD11179667
IUPAC Name:
1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
InChI:
InChI=1S/C10H7F3N2O2/c1-15-7-3-2-5(8(16)17)4-6(7)14-9(15)10(11,12)13/h2-4H,1H3,(H,16,17)
InChI Key:
HTJCOPJZCYJCMM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)nc(n2C)C(F)(F)F
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.046g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.173g/mol
Monoisotopic Mass:
244.046g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Exploring the interplay of physicochemical properties, membrane permeability and giardicidal activity of some benzimidazole derivatives. European journal of medicinal chemistry 20120601
Properties