Home Carboxys Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate

Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate

CAS No.:
55942-41-1
Catalog Number:
AG00DCS6
Molecular Formula:
C7H7F3N2O2
Molecular Weight:
208.1379
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Product Description
Catalog Number:
AG00DCS6
Chemical Name:
Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate
CAS Number:
55942-41-1
Molecular Formula:
C7H7F3N2O2
Molecular Weight:
208.1379
MDL Number:
MFCD12025856
IUPAC Name:
ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate
InChI:
InChI=1S/C7H7F3N2O2/c1-2-14-6(13)4-5(7(8,9)10)12-3-11-4/h3H,2H2,1H3,(H,11,12)
InChI Key:
GKUCPVKNHSQTEO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]cnc1C(F)(F)F
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.046g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.14g/mol
Monoisotopic Mass:
208.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties