Name: Name:5-bromo-1-tert-butyl-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01B26D
Rating: 90 (10 reviews)

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

CAS No.:

98534-79-3

Catalog Number:

AG01B26D

Molecular Formula:

C8H11BrN2O2

Molecular Weight:

247.0891

Catalog Number:

AG01B26D

Chemical Name:

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

CAS Number:

98534-79-3

Molecular Formula:

C8H11BrN2O2

Molecular Weight:

247.0891

MDL Number:

MFCD26813966

IUPAC Name:

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

InChI:

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

InChI Key:

AHZSMCKQHZYSRF-UHFFFAOYSA-N

SMILES:

OC(=O)c1cnn(c1Br)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