Leflunomide EP Impurity E

CAT: 1299-RM-L061305-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L061305-01Size:10 mg

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CAS Number

208401-20-1

Synonyms

3-Methyl-N-[4- (trifluoromethyl) phenyl]isoxazole-4-carboxamide

Molecular Formula

C12H9F3N2O2

Molecular Weight

270.21

Target Alternative Name

Leflunomide

Product Name Synonym

3-Methyl-N-[4- (trifluoromethyl) phenyl]isoxazole-4-carboxamide

Chemical Information

3-Methyl-N-(4-(trifluoromethyl)phenyl)isoxazole-4-carboxamide

CAS Number	208401-20-1
PubChem CID	9860220
IUPAC Name	3-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
Molecular Formula	C12H9F3N2O2
Molecular Weight	270.21
XLogP	2.5
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	327

SMILES

CC1=NOC=C1C(=O)NC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C12H9F3N2O2/c1-7-10(6-19-17-7)11(18)16-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,16,18)

InChIKey

SNUBGILHVSSQAY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 208401-20-1

CID: 9860220

Formula: C12H9F3N2O2

MW: 270.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	270.21
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	270.06161202
Monoisotopic Mass	270.06161202
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	327
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-L061301-01	Leflunomide EP Impurity A
RM-L061303-01	Leflunomide EP Impurity C
RM-L061304-01	Leflunomide EP Impurity D
RM-L061308-01	Leflunomide EP Impurity H
RM-L061302-01	Leflunomide EP Impurity B
RM-L061306-01	Leflunomide EP Impurity F
RM-L061307-01	Leflunomide EP Impurity G
RM-L061315-01	Leflunomide EP Impurity B-D4 (Teriflunomide-D4)
RM-L202405-01	Levothyroxine EP Impurity E; Liothyronine EP Impurity E
RM-O132305-01	Omeprazole EP Impurity E; Esomeprazole EP Impurity E