Name: Name:1H-Pyrazole-3-carboxylic acid, 4-bromo-5-(trifluoromethyl)-
Brand: Angene
SKU: AG000OPM
Rating: 90 (10 reviews)

1H-Pyrazole-3-carboxylic acid, 4-bromo-5-(trifluoromethyl)-

CAS No.:

1257842-67-3

Catalog Number:

AG000OPM

Molecular Formula:

C5H2BrF3N2O2

Molecular Weight:

258.9808

Catalog Number:

AG000OPM

Chemical Name:

1H-Pyrazole-3-carboxylic acid, 4-bromo-5-(trifluoromethyl)-

CAS Number:

1257842-67-3

Molecular Formula:

C5H2BrF3N2O2

Molecular Weight:

258.9808

MDL Number:

MFCD13193089

IUPAC Name:

4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid

InChI:

InChI=1S/C5H2BrF3N2O2/c6-1-2(4(12)13)10-11-3(1)5(7,8)9/h(H,10,11)(H,12,13)

InChI Key:

CXCYQTXIWGFXEE-UHFFFAOYSA-N

SMILES:

OC(=O)c1n[nH]c(c1Br)C(F)(F)F

Complexity:

222

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

257.925g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

258.982g/mol

Monoisotopic Mass:

257.925g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7