Name: Name:2H-1,2,3-Triazole-4-carboxylic acid, 5-bromo-2-methyl-, methyl ester
Brand: Angene
SKU: AG001310
Rating: 90 (10 reviews)

2H-1,2,3-Triazole-4-carboxylic acid, 5-bromo-2-methyl-, methyl ester

CAS No.:

1372711-70-0

Catalog Number:

AG001310

Molecular Formula:

C5H6BrN3O2

Molecular Weight:

220.0240

Catalog Number:

AG001310

Chemical Name:

2H-1,2,3-Triazole-4-carboxylic acid, 5-bromo-2-methyl-, methyl ester

CAS Number:

1372711-70-0

Molecular Formula:

C5H6BrN3O2

Molecular Weight:

220.0240

MDL Number:

MFCD23381101

IUPAC Name:

methyl 5-bromo-2-methyltriazole-4-carboxylate

InChI:

InChI=1S/C5H6BrN3O2/c1-9-7-3(4(6)8-9)5(10)11-2/h1-2H3

InChI Key:

BSHWJBSHZPLXDB-UHFFFAOYSA-N

SMILES:

COC(=O)c1nn(nc1Br)C

Complexity:

166

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

218.964g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

220.026g/mol

Monoisotopic Mass:

218.964g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5