Name: Name:ethyl 3-(2,4-dichlorophenoxymethyl)-1H-1,2,4-triazole-5-carboxylate
Brand: Angene
SKU: AG01BA4U
Rating: 90 (10 reviews)

ethyl 3-(2,4-dichlorophenoxymethyl)-1H-1,2,4-triazole-5-carboxylate

CAS No.:

1803604-04-7

Catalog Number:

AG01BA4U

Molecular Formula:

C12H11Cl2N3O3

Molecular Weight:

316.1400

Catalog Number:

AG01BA4U

Chemical Name:

ethyl 3-(2,4-dichlorophenoxymethyl)-1H-1,2,4-triazole-5-carboxylate

CAS Number:

1803604-04-7

Molecular Formula:

C12H11Cl2N3O3

Molecular Weight:

316.1400

MDL Number:

MFCD28397512

IUPAC Name:

ethyl 5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazole-3-carboxylate

InChI:

InChI=1S/C12H11Cl2N3O3/c1-2-19-12(18)11-15-10(16-17-11)6-20-9-4-3-7(13)5-8(9)14/h3-5H,2,6H2,1H3,(H,15,16,17)

InChI Key:

XZFVEBOPJXIJHY-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1[nH]nc(n1)COc1ccc(cc1Cl)Cl

Complexity:

335

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

315.018g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

316.138g/mol

Monoisotopic Mass:

315.018g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3