Home Carboxys 2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid

2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid

CAS No.:
328569-34-2
Catalog Number:
AG01AF59
Molecular Formula:
C11H7F3N2O2
Molecular Weight:
256.1807
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Product Description
Catalog Number:
AG01AF59
Chemical Name:
2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid
CAS Number:
328569-34-2
Molecular Formula:
C11H7F3N2O2
Molecular Weight:
256.1807
MDL Number:
MFCD07378851
IUPAC Name:
2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid
InChI:
InChI=1S/C11H7F3N2O2/c12-11(13,14)7-3-1-6(2-4-7)9-15-5-8(16-9)10(17)18/h1-5H,(H,15,16)(H,17,18)
InChI Key:
UGRQMXQUNSAUHD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc([nH]1)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.046g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
256.184g/mol
Monoisotopic Mass:
256.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties