Name: Name:Methyl 3-bromo-1-methyl-1H-1,2,4-triazole-5-carboxylate
Brand: Angene
SKU: AG00HYCX
Rating: 90 (10 reviews)

Methyl 3-bromo-1-methyl-1H-1,2,4-triazole-5-carboxylate

CAS No.:

1559067-56-9

Catalog Number:

AG00HYCX

Molecular Formula:

C5H6BrN3O2

Molecular Weight:

220.0240

Catalog Number:

AG00HYCX

Chemical Name:

Methyl 3-bromo-1-methyl-1H-1,2,4-triazole-5-carboxylate

CAS Number:

1559067-56-9

Molecular Formula:

C5H6BrN3O2

Molecular Weight:

220.0240

MDL Number:

MFCD26940368

IUPAC Name:

methyl 5-bromo-2-methyl-1,2,4-triazole-3-carboxylate

InChI:

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

InChI Key:

NCYGUUBYLZQAOM-UHFFFAOYSA-N

SMILES:

Cn1nc(nc1C(=O)OC)Br

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:

1.2