Name: Name:4-[5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Brand: Angene
SKU: AG01BIA5
Rating: 90 (10 reviews)

4-[5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid

CAS No.:

150649-14-2

Catalog Number:

AG01BIA5

Molecular Formula:

C11H7F3N2O3

Molecular Weight:

272.1801

Catalog Number:

AG01BIA5

Chemical Name:

4-[5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid

CAS Number:

150649-14-2

Molecular Formula:

C11H7F3N2O3

Molecular Weight:

272.1801

MDL Number:

MFCD03214147

IUPAC Name:

4-[5-oxo-3-(trifluoromethyl)-4H-pyrazol-1-yl]benzoic acid

InChI:

InChI=1S/C11H7F3N2O3/c12-11(13,14)8-5-9(17)16(15-8)7-3-1-6(2-4-7)10(18)19/h1-4H,5H2,(H,18,19)

InChI Key:

YZDQDFGZHALOHA-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1)N1N=C(CC1=O)C(F)(F)F

Complexity:

425

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:

70A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9