Name: Name:1H-Pyrazole-4-carboxylic acid, 3-bromo-1-methyl-, ethyl ester
Brand: Angene
SKU: AG01DUHH
Rating: 90 (10 reviews)

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

CAS No.:

139308-52-4

Catalog Number:

AG01DUHH

Molecular Formula:

C7H9BrN2O2

Molecular Weight:

233.0626

Catalog Number:

AG01DUHH

Chemical Name:

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

CAS Number:

139308-52-4

Molecular Formula:

C7H9BrN2O2

Molecular Weight:

233.0626

MDL Number:

MFCD22420858

IUPAC Name:

ethyl 3-bromo-1-methylpyrazole-4-carboxylate

InChI:

InChI=1S/C7H9BrN2O2/c1-3-12-7(11)5-4-10(2)9-6(5)8/h4H,3H2,1-2H3

InChI Key:

DDADHABILFWYRA-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cn(nc1Br)C

Complexity:

177

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:

44.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5