Name: Name:ethyl 3-(4-chlorophenyl)-1-methyl-1H-1,2,4-triazole-5-carboxylate
Brand: Angene
SKU: AG01BA73
Rating: 90 (10 reviews)

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

CAS No.:

1803589-00-5

Catalog Number:

AG01BA73

Molecular Formula:

C12H12ClN3O2

Molecular Weight:

265.6956

Catalog Number:

AG01BA73

Chemical Name:

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

CAS Number:

1803589-00-5

Molecular Formula:

C12H12ClN3O2

Molecular Weight:

265.6956

MDL Number:

MFCD28397540

IUPAC Name:

ethyl 5-(4-chlorophenyl)-2-methyl-1,2,4-triazole-3-carboxylate

InChI:

InChI=1S/C12H12ClN3O2/c1-3-18-12(17)11-14-10(15-16(11)2)8-4-6-9(13)7-5-8/h4-7H,3H2,1-2H3

InChI Key:

YFJFGIPEOFETKT-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1nc(nn1C)c1ccc(cc1)Cl

Complexity:

295

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

265.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

265.697g/mol

Monoisotopic Mass:

265.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8