Name: Name:3-bromo-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid
Brand: Angene
SKU: AG019Z61
Rating: 90 (10 reviews)

3-bromo-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid

CAS No.:

1247686-99-2

Catalog Number:

AG019Z61

Molecular Formula:

C11H9BrN2O2

Molecular Weight:

281.1054

Catalog Number:

AG019Z61

Chemical Name:

3-bromo-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid

CAS Number:

1247686-99-2

Molecular Formula:

C11H9BrN2O2

Molecular Weight:

281.1054

MDL Number:

MFCD16807148

IUPAC Name:

5-bromo-2-(4-methylphenyl)pyrazole-3-carboxylic acid

InChI:

InChI=1S/C11H9BrN2O2/c1-7-2-4-8(5-3-7)14-9(11(15)16)6-10(12)13-14/h2-6H,1H3,(H,15,16)

InChI Key:

ZMYPULGTVDTREQ-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)n1nc(cc1C(=O)O)Br

Complexity:

267

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.985g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

281.109g/mol

Monoisotopic Mass:

279.985g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1