Name: Name:4-bromo-1-methyl-1H-1,2,3-triazole-5-carboxylic acid
Brand: Angene
SKU: AG01BCJ5
Rating: 90 (10 reviews)

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

CAS No.:

1391631-21-2

Catalog Number:

AG01BCJ5

Molecular Formula:

C4H4BrN3O2

Molecular Weight:

205.9975

Catalog Number:

AG01BCJ5

Chemical Name:

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

CAS Number:

1391631-21-2

Molecular Formula:

C4H4BrN3O2

Molecular Weight:

205.9975

MDL Number:

MFCD28681515

IUPAC Name:

5-bromo-3-methyltriazole-4-carboxylic acid

InChI:

InChI=1S/C4H4BrN3O2/c1-8-2(4(9)10)3(5)6-7-8/h1H3,(H,9,10)

InChI Key:

QJJJUEPHZZMYOB-UHFFFAOYSA-N

SMILES:

OC(=O)c1c(Br)nnn1C

Complexity:

153

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.949g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

205.999g/mol

Monoisotopic Mass:

204.949g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6