Home Carboxys 1H-Imidazole-4-carboxylic acid, 5-(trifluoromethyl)-

1H-Imidazole-4-carboxylic acid, 5-(trifluoromethyl)-

CAS No.:
840490-23-5
Catalog Number:
AG008H34
Molecular Formula:
C5H3F3N2O2
Molecular Weight:
180.0847
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Product Description
Catalog Number:
AG008H34
Chemical Name:
1H-Imidazole-4-carboxylic acid, 5-(trifluoromethyl)-
CAS Number:
840490-23-5
Molecular Formula:
C5H3F3N2O2
Molecular Weight:
180.0847
MDL Number:
MFCD16877847
IUPAC Name:
5-(trifluoromethyl)-1H-imidazole-4-carboxylic acid
InChI:
InChI=1S/C5H3F3N2O2/c6-5(7,8)3-2(4(11)12)9-1-10-3/h1H,(H,9,10)(H,11,12)
InChI Key:
UNYBSERVIMALSJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc[nH]c1C(F)(F)F
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.015g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.086g/mol
Monoisotopic Mass:
180.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties