Name: Name:3-bromo-1-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid
Brand: Angene
SKU: AG019YOR
Rating: 90 (10 reviews)

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

CAS No.:

1384428-61-8

Catalog Number:

AG019YOR

Molecular Formula:

C11H11BrN2O2

Molecular Weight:

283.1212

Catalog Number:

AG019YOR

Chemical Name:

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

CAS Number:

1384428-61-8

Molecular Formula:

C11H11BrN2O2

Molecular Weight:

283.1212

MDL Number:

MFCD22369802

IUPAC Name:

5-bromo-2-(4-methylphenyl)-3,4-dihydropyrazole-3-carboxylic acid

InChI:

InChI=1S/C11H11BrN2O2/c1-7-2-4-8(5-3-7)14-9(11(15)16)6-10(12)13-14/h2-5,9H,6H2,1H3,(H,15,16)

InChI Key:

LIYBPGOEFAXPBD-UHFFFAOYSA-N

SMILES:

OC(=O)C1CC(=NN1c1ccc(cc1)C)Br

Complexity:

311

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

282g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

283.125g/mol

Monoisotopic Mass:

282g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6