Name: Name:ethyl 2-methyl-4-(trifluoromethyl)-1H-imidazole-5-carboxylate
Brand: Angene
SKU: AG01B8UE
Rating: 90 (10 reviews)

ethyl 2-methyl-4-(trifluoromethyl)-1H-imidazole-5-carboxylate

CAS No.:

499766-88-0

Catalog Number:

AG01B8UE

Molecular Formula:

C8H9F3N2O2

Molecular Weight:

222.1645

Catalog Number:

AG01B8UE

Chemical Name:

ethyl 2-methyl-4-(trifluoromethyl)-1H-imidazole-5-carboxylate

CAS Number:

499766-88-0

Molecular Formula:

C8H9F3N2O2

Molecular Weight:

222.1645

MDL Number:

MFCD26686078

IUPAC Name:

ethyl 2-methyl-5-(trifluoromethyl)-1H-imidazole-4-carboxylate

InChI:

InChI=1S/C8H9F3N2O2/c1-3-15-7(14)5-6(8(9,10)11)13-4(2)12-5/h3H2,1-2H3,(H,12,13)

InChI Key:

LUTDMDSAVUHHQB-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1[nH]c(nc1C(F)(F)F)C

Complexity:

245

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.167g/mol

Monoisotopic Mass:

222.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9