Talniflumate 2mg

CAT: 0628-A13339-2Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0628-A13339-2Size:2 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

66898-62-2

Chemical Information

Talniflumate

2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid (3-oxo-1H-isobenzofuran-1-yl) ester is a member of benzofurans.

CAS Number	66898-62-2
PubChem CID	48229
IUPAC Name	(3-oxo-1H-2-benzofuran-1-yl) 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
Molecular Formula	C21H13F3N2O4
Molecular Weight	414.3
XLogP	5.3
Topological Polar Surface Area	77.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Heavy Atom Count	30
Formal Charge	0
Complexity	644

SMILES

C1=CC=C2C(=C1)C(OC2=O)OC(=O)C3=C(N=CC=C3)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H13F3N2O4/c22-21(23,24)12-5-3-6-13(11-12)26-17-16(9-4-10-25-17)19(28)30-20-15-8-2-1-7-14(15)18(27)29-20/h1-11,20H,(H,25,26)

InChIKey

ANMLJLFWUCQGKZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66898-62-2

CID: 48229

Formula: C21H13F3N2O4

MW: 414.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	414.3
XLogP3	5.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Exact Mass	414.08274139
Monoisotopic Mass	414.08274139
Topological Polar Surface Area	77.5 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	644
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
526070	Talniflumate
HY-103370R-01	Talniflumate (Standard)