Name: Name:4-methoxy-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG00IJBW
Rating: 90 (10 reviews)

4-methoxy-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylic acid

CAS No.:

956728-58-8

Catalog Number:

AG00IJBW

Molecular Formula:

C12H9F3N2O3

Molecular Weight:

286.2067

Catalog Number:

AG00IJBW

Chemical Name:

4-methoxy-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylic acid

CAS Number:

956728-58-8

Molecular Formula:

C12H9F3N2O3

Molecular Weight:

286.2067

MDL Number:

MFCD00004282

IUPAC Name:

4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid

InChI:

InChI=1S/C12H9F3N2O3/c1-20-9-6-17(16-10(9)11(18)19)8-4-2-3-7(5-8)12(13,14)15/h2-6H,1H3,(H,18,19)

InChI Key:

QLQJQGAAFKMHKM-UHFFFAOYSA-N

SMILES:

COc1cn(nc1C(=O)O)c1cccc(c1)C(F)(F)F

Complexity:

364

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

286.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

286.21g/mol

Monoisotopic Mass:

286.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6