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Niflumic Acid

CAT: 0572-TRC-N457500-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N457500-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4394-00-7
Synonyms
Niflumic Acid; 2-[[3-(Trifluoromethyl)phenyl]amino]-3-pyridinecarboxylic acid; 2-[3-(Trifluoromethyl)anilino]nicotinic acid; UP-83; Actol; Forenol; Landruma; Nifluril; 2-(alpha,alpha,alpha-Trifluoro-m-toluidino)nicotinic acid
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F
Molecular Formula
C13 H9 F3 N2 O2
Molecular Weight
282.22
InChI
InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
Additionnal Information
IUPAC name: 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Niflumic Acid

Niflumic acid is a member of pyridines and an aromatic carboxylic acid.

CAS Number4394-00-7
PubChem CID4488
IUPAC Name2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22
XLogP3.7
Topological Polar Surface Area62.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity349
SMILES
C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)O)C(F)(F)F
InChI
InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
InChIKey
JZFPYUNJRRFVQU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Niflumic Acid
CAS: 4394-00-7
CID: 4488
Formula: C13H9F3N2O2
MW: 282.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.22
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass282.06161202
Monoisotopic Mass282.06161202
Topological Polar Surface Area62.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity349
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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