Name: Name:1H-Pyrazole-4-carboxylic acid, 1-[4-(trifluoromethyl)phenyl]-
Brand: Angene
SKU: AG000R2Y
Rating: 90 (10 reviews)

1H-Pyrazole-4-carboxylic acid, 1-[4-(trifluoromethyl)phenyl]-

CAS No.:

1260740-53-1

Catalog Number:

AG000R2Y

Molecular Formula:

C11H7F3N2O2

Molecular Weight:

256.1807

Catalog Number:

AG000R2Y

Chemical Name:

1H-Pyrazole-4-carboxylic acid, 1-[4-(trifluoromethyl)phenyl]-

CAS Number:

1260740-53-1

Molecular Formula:

C11H7F3N2O2

Molecular Weight:

256.1807

MDL Number:

MFCD15527665

IUPAC Name:

1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid

InChI:

InChI=1S/C11H7F3N2O2/c12-11(13,14)8-1-3-9(4-2-8)16-6-7(5-15-16)10(17)18/h1-6H,(H,17,18)

InChI Key:

LVXUGHWZJOBYDX-UHFFFAOYSA-N

SMILES:

OC(=O)c1cnn(c1)c1ccc(cc1)C(F)(F)F

Complexity:

314

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

256.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

256.184g/mol

Monoisotopic Mass:

256.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3