Name: Name:4-bromo-1-tert-butyl-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG01B2SJ
Rating: 90 (10 reviews)

4-bromo-1-tert-butyl-1H-pyrazole-3-carboxylic acid

CAS No.:

682757-51-3

Catalog Number:

AG01B2SJ

Molecular Formula:

C8H11BrN2O2

Molecular Weight:

247.0891

Catalog Number:

AG01B2SJ

Chemical Name:

4-bromo-1-tert-butyl-1H-pyrazole-3-carboxylic acid

CAS Number:

682757-51-3

Molecular Formula:

C8H11BrN2O2

Molecular Weight:

247.0891

MDL Number:

MFCD29991726

IUPAC Name:

4-bromo-1-tert-butylpyrazole-3-carboxylic acid

InChI:

InChI=1S/C8H11BrN2O2/c1-8(2,3)11-4-5(9)6(10-11)7(12)13/h4H,1-3H3,(H,12,13)

InChI Key:

VXTHTIHMMDDRIY-UHFFFAOYSA-N

SMILES:

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

Complexity:

215

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

246g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.092g/mol

Monoisotopic Mass:

246g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7