Name: Name:3-(Trifluoromethyl)-1-phenyl-1h-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG007KML
Rating: 90 (10 reviews)

3-(Trifluoromethyl)-1-phenyl-1h-pyrazole-4-carboxylic acid

CAS No.:

142818-01-7

Catalog Number:

AG007KML

Molecular Formula:

C11H7F3N2O2

Molecular Weight:

256.1807

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Purity

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Quantity

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United States

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Catalog Number:

AG007KML

Chemical Name:

3-(Trifluoromethyl)-1-phenyl-1h-pyrazole-4-carboxylic acid

CAS Number:

142818-01-7

Molecular Formula:

C11H7F3N2O2

Molecular Weight:

256.1807

MDL Number:

MFCD11707231

IUPAC Name:

1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid

InChI:

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

InChI Key:

AUYRCXFCCKSUKX-UHFFFAOYSA-N

SMILES:

OC(=O)c1cn(nc1C(F)(F)F)c1ccccc1

Complexity:

316

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