Name: Name:1H-Pyrazole-4-carboxylic acid, 1-(3-methylphenyl)-5-(trifluoromethyl)-
Brand: Angene
SKU: AG005JX9
Rating: 90 (10 reviews)

1H-Pyrazole-4-carboxylic acid, 1-(3-methylphenyl)-5-(trifluoromethyl)-

CAS No.:

786726-99-6

Catalog Number:

AG005JX9

Molecular Formula:

C12H9F3N2O2

Molecular Weight:

270.2073

Catalog Number:

AG005JX9

Chemical Name:

1H-Pyrazole-4-carboxylic acid, 1-(3-methylphenyl)-5-(trifluoromethyl)-

CAS Number:

786726-99-6

Molecular Formula:

C12H9F3N2O2

Molecular Weight:

270.2073

MDL Number:

MFCD08444292

IUPAC Name:

1-(3-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

InChI:

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

InChI Key:

IFDRKBOTQQUOKG-UHFFFAOYSA-N

SMILES:

Cc1cccc(c1)n1ncc(c1C(F)(F)F)C(=O)O

Complexity:

348

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