Name: Name:4-bromo-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG01ANLR
Rating: 90 (10 reviews)

4-bromo-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid

CAS No.:

1006471-09-5

Catalog Number:

AG01ANLR

Molecular Formula:

C6H4BrF3N2O2

Molecular Weight:

273.0074

Catalog Number:

AG01ANLR

Chemical Name:

4-bromo-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid

CAS Number:

1006471-09-5

Molecular Formula:

C6H4BrF3N2O2

Molecular Weight:

273.0074

MDL Number:

MFCD08696332

IUPAC Name:

4-bromo-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid

InChI:

InChI=1S/C6H4BrF3N2O2/c7-3-1-12(2-6(8,9)10)11-4(3)5(13)14/h1H,2H2,(H,13,14)

InChI Key:

PFIKFQQILFWVAC-UHFFFAOYSA-N

SMILES:

OC(=O)c1nn(cc1Br)CC(F)(F)F

Complexity:

236

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

271.941g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

273.009g/mol

Monoisotopic Mass:

271.941g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8