Name: Name:3-[5-(trifluoromethyl)-1H-pyrazol-1-yl]benzoic acid
Brand: Angene
SKU: AG01A8J8
Rating: 90 (10 reviews)

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

CAS No.:

1152530-82-9

Catalog Number:

AG01A8J8

Molecular Formula:

C11H7F3N2O2

Molecular Weight:

256.1807

Catalog Number:

AG01A8J8

Chemical Name:

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

CAS Number:

1152530-82-9

Molecular Formula:

C11H7F3N2O2

Molecular Weight:

256.1807

MDL Number:

MFCD11543493

IUPAC Name:

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

InChI:

InChI=1S/C11H7F3N2O2/c12-11(13,14)9-4-5-15-16(9)8-3-1-2-7(6-8)10(17)18/h1-6H,(H,17,18)

InChI Key:

SRLOCBNUCMLFRU-UHFFFAOYSA-N

SMILES:

OC(=O)c1cccc(c1)n1nccc1C(F)(F)F

Complexity:

322

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

256.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

256.184g/mol

Monoisotopic Mass:

256.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3