Name: Name:methyl 1-{[4-(2,2,2-trifluoroethoxy)phenyl]methyl}-1H-1,2,4-triazole-3-carboxylate
Brand: Angene
SKU: AG01A11E
Rating: 90 (10 reviews)

methyl 1-{[4-(2,2,2-trifluoroethoxy)phenyl]methyl}-1H-1,2,4-triazole-3-carboxylate

CAS No.:

1376269-34-9

Catalog Number:

AG01A11E

Molecular Formula:

C13H12F3N3O3

Molecular Weight:

315.2479

Catalog Number:

AG01A11E

Chemical Name:

methyl 1-{[4-(2,2,2-trifluoroethoxy)phenyl]methyl}-1H-1,2,4-triazole-3-carboxylate

CAS Number:

1376269-34-9

Molecular Formula:

C13H12F3N3O3

Molecular Weight:

315.2479

MDL Number:

MFCD22392127

IUPAC Name:

methyl 1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,2,4-triazole-3-carboxylate

InChI:

InChI=1S/C13H12F3N3O3/c1-21-12(20)11-17-8-19(18-11)6-9-2-4-10(5-3-9)22-7-13(14,15)16/h2-5,8H,6-7H2,1H3

InChI Key:

CVEFXCQHGVQMOY-UHFFFAOYSA-N

SMILES:

COC(=O)c1ncn(n1)Cc1ccc(cc1)OCC(F)(F)F

Complexity:

373

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

315.083g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

315.252g/mol

Monoisotopic Mass:

315.083g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9