Name: Name:3-(Difluoromethyl)-1-methyl-5-(3-(trifluoromethyl)phenoxy)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG0012KT
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3-(Difluoromethyl)-1-methyl-5-(3-(trifluoromethyl)phenoxy)-1H-pyrazole-4-carboxylic acid

CAS No.:

1369490-06-1

Catalog Number:

AG0012KT

Molecular Formula:

C13H9F5N2O3

Molecular Weight:

336.2142

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

100mg

95%

In Stock USA

United States

$469

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Catalog Number:

AG0012KT

Chemical Name:

3-(Difluoromethyl)-1-methyl-5-(3-(trifluoromethyl)phenoxy)-1H-pyrazole-4-carboxylic acid

CAS Number:

1369490-06-1

Molecular Formula:

C13H9F5N2O3

Molecular Weight:

336.2142

MDL Number:

MFCD30185166

IUPAC Name:

3-(difluoromethyl)-1-methyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylic acid

InChI:

InChI=1S/C13H9F5N2O3/c1-20-11(8(12(21)22)9(19-20)10(14)15)23-7-4-2-3-6(5-7)13(16,17)18/h2-5,10H,1H3,(H,21,22)

InChI Key:

PSZGSAQBIBBCRP-UHFFFAOYSA-N

SMILES:

Cn1nc(c(c1Oc1cccc(c1)C(F)(F)F)C(=O)O)C(F)F

Complexity:

434

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

336.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

336.218g/mol

Monoisotopic Mass:

336.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2