Name: Name:5-bromo-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01BTFY
Rating: 90 (10 reviews)

5-bromo-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid

CAS No.:

1565032-98-5

Catalog Number:

AG01BTFY

Molecular Formula:

C7H9BrN2O2

Molecular Weight:

233.0626

Catalog Number:

AG01BTFY

Chemical Name:

5-bromo-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid

CAS Number:

1565032-98-5

Molecular Formula:

C7H9BrN2O2

Molecular Weight:

233.0626

MDL Number:

MFCD26813994

IUPAC Name:

5-bromo-1-propan-2-ylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C7H9BrN2O2/c1-4(2)10-6(8)5(3-9-10)7(11)12/h3-4H,1-2H3,(H,11,12)

InChI Key:

QGQACUIGGOSGPU-UHFFFAOYSA-N

SMILES:

CC(n1ncc(c1Br)C(=O)O)C

Complexity:

186

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