Febuxostat Impurity 100

CAT: 1299-RM-F022520-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-F022520-01Size:10 mg

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CAS Number

171017-48-4

Synonyms

Ethyl 2- (2- (3-hydroxyphenyl) thiazol-4-yl) acetate

Molecular Formula

C13H13NO3S

Molecular Weight

263.31

Target Alternative Name

Febuxostat

Product Name Synonym

Ethyl 2- (2- (3-hydroxyphenyl) thiazol-4-yl) acetate

Chemical Information

Ethyl 2-(2-(3-hydroxyphenyl)thiazol-4-yl)acetate

CAS Number	171017-48-4
PubChem CID	15336765
IUPAC Name	ethyl 2-[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]acetate
Molecular Formula	C13H13NO3S
Molecular Weight	263.31
XLogP	2.5
Topological Polar Surface Area	87.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	0
Complexity	287

SMILES

CCOC(=O)CC1=CSC(=N1)C2=CC(=CC=C2)O

InChI

InChI=1S/C13H13NO3S/c1-2-17-12(16)7-10-8-18-13(14-10)9-4-3-5-11(15)6-9/h3-6,8,15H,2,7H2,1H3

InChIKey

FVMBSSBFFXIODU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 171017-48-4

CID: 15336765

Formula: C13H13NO3S

MW: 263.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	263.31
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	263.06161445
Monoisotopic Mass	263.06161445
Topological Polar Surface Area	87.7 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	287
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