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


Chemical Name: 1H-Imidazole-4-carboxylic acid, 5-(trifluoromethyl)-, ethyl ester
CAS Number: 55942-41-1
Product Number: AG00DCS6(AGN-PC-0JTLWL)
Synonyms:
MDL No:
Molecular Formula: C7H7F3N2O2
Molecular Weight: 208.1379

Identification/Properties


Properties
Storage:
Room Temperature;Keep in dry area;
Computed Properties
Molecular Weight:
208.14g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
208.046g/mol
Monoisotopic Mass:
208.046g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
220
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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