Name: Name:1-(3-(Trifluoromethyl)benzyl)-1H-pyrazole-4-carboxylicacid
Brand: Angene
SKU: AG008QUG
Rating: 90 (10 reviews)

1-(3-(Trifluoromethyl)benzyl)-1H-pyrazole-4-carboxylicacid

CAS No.:

752222-88-1

Catalog Number:

AG008QUG

Molecular Formula:

C12H9F3N2O2

Molecular Weight:

270.2073

Catalog Number:

AG008QUG

Chemical Name:

1-(3-(Trifluoromethyl)benzyl)-1H-pyrazole-4-carboxylicacid

CAS Number:

752222-88-1

Molecular Formula:

C12H9F3N2O2

Molecular Weight:

270.2073

MDL Number:

MFCD09965729

IUPAC Name:

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

InChI:

InChI=1S/C12H9F3N2O2/c13-12(14,15)10-3-1-2-8(4-10)6-17-7-9(5-16-17)11(18)19/h1-5,7H,6H2,(H,18,19)

InChI Key:

UBZZBQIXYQZVDV-UHFFFAOYSA-N

SMILES:

OC(=O)c1cnn(c1)Cc1cccc(c1)C(F)(F)F

EC Number:

921-977-8

Complexity:

335

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:

2.2