Ataluren

CAT: 0127-BUP15408-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP15408-04Size:50 mg

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CAS Number

775304-57-9

Synonyms

PTC124

Purity

=98%

Smiles

FC1=C(C2=NC(=NO2)C3=CC(C(O)=O)=CC=C3)C=CC=C1

Chemical Information

Ataluren

3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid is a ring assembly and an oxadiazole.

CAS Number	775304-57-9
PubChem CID	11219835
IUPAC Name	3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
Molecular Formula	C15H9FN2O3
Molecular Weight	284.24
XLogP	3.1
Topological Polar Surface Area	76.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	382

SMILES

C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC(=CC=C3)C(=O)O)F

InChI

InChI=1S/C15H9FN2O3/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20/h1-8H,(H,19,20)

InChIKey

OOUGLTULBSNHNF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 775304-57-9

CID: 11219835

Formula: C15H9FN2O3

MW: 284.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	284.24
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	284.05972032
Monoisotopic Mass	284.05972032
Topological Polar Surface Area	76.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	382
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