Name: Name:4-bromo-1-isopropyl-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG00H99Y
Rating: 90 (10 reviews)

4-bromo-1-isopropyl-1H-pyrazole-3-carboxylic acid

CAS No.:

1006451-37-1

Catalog Number:

AG00H99Y

Molecular Formula:

C7H9BrN2O2

Molecular Weight:

233.0626

Catalog Number:

AG00H99Y

Chemical Name:

4-bromo-1-isopropyl-1H-pyrazole-3-carboxylic acid

CAS Number:

1006451-37-1

Molecular Formula:

C7H9BrN2O2

Molecular Weight:

233.0626

MDL Number:

MFCD06805228

IUPAC Name:

4-bromo-1-propan-2-ylpyrazole-3-carboxylic acid

InChI:

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

InChI Key:

ZLQGMHAFGMQGTD-UHFFFAOYSA-N

SMILES:

OC(=O)c1nn(cc1Br)C(C)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