Name: Name:1H-Pyrazole-5-carboxylic acid, 4-bromo-1-ethyl-3-methyl-
Brand: Angene
SKU: AG0020RH
Rating: 90 (10 reviews)

1H-Pyrazole-5-carboxylic acid, 4-bromo-1-ethyl-3-methyl-

CAS No.:

175276-99-0

Catalog Number:

AG0020RH

Molecular Formula:

C7H9BrN2O2

Molecular Weight:

233.0626

Catalog Number:

AG0020RH

Chemical Name:

1H-Pyrazole-5-carboxylic acid, 4-bromo-1-ethyl-3-methyl-

CAS Number:

175276-99-0

Molecular Formula:

C7H9BrN2O2

Molecular Weight:

233.0626

MDL Number:

MFCD00173776

IUPAC Name:

4-bromo-2-ethyl-5-methylpyrazole-3-carboxylic acid

InChI:

InChI=1S/C7H9BrN2O2/c1-3-10-6(7(11)12)5(8)4(2)9-10/h3H2,1-2H3,(H,11,12)

InChI Key:

CABAIQRHBLZKEG-UHFFFAOYSA-N

SMILES:

CCn1nc(c(c1C(=O)O)Br)C

Complexity:

188

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.985g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

233.065g/mol

Monoisotopic Mass:

231.985g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5