Name: Name:5-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG01BJ2Q
Rating: 90 (10 reviews)

5-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-3-carboxylic acid

CAS No.:

1277167-99-3

Catalog Number:

AG01BJ2Q

Molecular Formula:

C11H7F3N2O3

Molecular Weight:

272.1801

Catalog Number:

AG01BJ2Q

Chemical Name:

5-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-3-carboxylic acid

CAS Number:

1277167-99-3

Molecular Formula:

C11H7F3N2O3

Molecular Weight:

272.1801

MDL Number:

MFCD14706657

IUPAC Name:

3-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxylic acid

InChI:

InChI=1S/C11H7F3N2O3/c12-11(13,14)19-7-3-1-6(2-4-7)8-5-9(10(17)18)16-15-8/h1-5H,(H,15,16)(H,17,18)

InChI Key:

JTKTXXOKTAOEOU-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc([nH]n1)c1ccc(cc1)OC(F)(F)F

Complexity:

330

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

272.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

272.183g/mol

Monoisotopic Mass:

272.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9