Name: Name:5-methyl-1-(4-(trifluoromethyl)phenyl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01C0L1
Rating: 90 (10 reviews)

5-methyl-1-(4-(trifluoromethyl)phenyl)-1H-pyrazole-4-carboxylic acid

CAS No.:

187998-42-1

Catalog Number:

AG01C0L1

Molecular Formula:

C12H9F3N2O2

Molecular Weight:

270.2073

Catalog Number:

AG01C0L1

Chemical Name:

5-methyl-1-(4-(trifluoromethyl)phenyl)-1H-pyrazole-4-carboxylic acid

CAS Number:

187998-42-1

Molecular Formula:

C12H9F3N2O2

Molecular Weight:

270.2073

MDL Number:

MFCD16339431

IUPAC Name:

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

InChI:

InChI=1S/C12H9F3N2O2/c1-7-10(11(18)19)6-16-17(7)9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,18,19)

InChI Key:

BRPWJZSTHIHDDV-UHFFFAOYSA-N

SMILES:

OC(=O)c1cnn(c1C)c1ccc(cc1)C(F)(F)F

Complexity:

340

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

270.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

270.211g/mol

Monoisotopic Mass:

270.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7