Name: Name:4-bromo-3-(propan-2-yl)-1H-pyrazole-5-carboxylic acid
Brand: Angene
SKU: AG019XB7
Rating: 90 (10 reviews)

4-bromo-3-(propan-2-yl)-1H-pyrazole-5-carboxylic acid

CAS No.:

1257878-78-6

Catalog Number:

AG019XB7

Molecular Formula:

C7H9BrN2O2

Molecular Weight:

233.0626

Catalog Number:

AG019XB7

Chemical Name:

4-bromo-3-(propan-2-yl)-1H-pyrazole-5-carboxylic acid

CAS Number:

1257878-78-6

Molecular Formula:

C7H9BrN2O2

Molecular Weight:

233.0626

MDL Number:

MFCD13704082

IUPAC Name:

4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxylic acid

InChI:

InChI=1S/C7H9BrN2O2/c1-3(2)5-4(8)6(7(11)12)10-9-5/h3H,1-2H3,(H,9,10)(H,11,12)

InChI Key:

WUTSFEOMMZCXFZ-UHFFFAOYSA-N

SMILES:

CC(c1n[nH]c(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:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9