Name: Name:ethyl 5-methyl-2-(4-(trifluoromethyl)phenyl)-2H-1,2,3-triazole-4-carboxylate
Brand: Angene
SKU: AG01DJDH
Rating: 90 (10 reviews)

ethyl 5-methyl-2-(4-(trifluoromethyl)phenyl)-2H-1,2,3-triazole-4-carboxylate

CAS No.:

870788-48-0

Catalog Number:

AG01DJDH

Molecular Formula:

C13H12F3N3O2

Molecular Weight:

299.2485

Catalog Number:

AG01DJDH

Chemical Name:

ethyl 5-methyl-2-(4-(trifluoromethyl)phenyl)-2H-1,2,3-triazole-4-carboxylate

CAS Number:

870788-48-0

Molecular Formula:

C13H12F3N3O2

Molecular Weight:

299.2485

MDL Number:

MFCD31652849

IUPAC Name:

ethyl 5-methyl-2-[4-(trifluoromethyl)phenyl]triazole-4-carboxylate

InChI:

InChI=1S/C13H12F3N3O2/c1-3-21-12(20)11-8(2)17-19(18-11)10-6-4-9(5-7-10)13(14,15)16/h4-7H,3H2,1-2H3

InChI Key:

ZGYMSWXOVRTABO-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1nn(nc1C)c1ccc(cc1)C(F)(F)F

Complexity:

370

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

299.088g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

299.253g/mol

Monoisotopic Mass:

299.088g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7