NCGC00029283

CAT: 0607-BA3983-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA3983-5Size:5 mg

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

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CAS Number

714240-31-0

Form

A solid

Molecular Formula

C18H12FN3O3

Molecular Weight

337.30

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

3-[5-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-3-yl]-6-methoxy-quinolin-2-ol

CAS Number	714240-31-0
PubChem CID	651756
IUPAC Name	3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-methoxy-1H-quinolin-2-one
Molecular Formula	C18H12FN3O3
Molecular Weight	337.3
XLogP	3
Topological Polar Surface Area	77.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	536

SMILES

COC1=CC2=C(C=C1)NC(=O)C(=C2)C3=NOC(=N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C18H12FN3O3/c1-24-13-6-7-15-11(8-13)9-14(17(23)20-15)16-21-18(25-22-16)10-2-4-12(19)5-3-10/h2-9H,1H3,(H,20,23)

InChIKey

FJQADEHMIMENRE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 714240-31-0

CID: 651756

Formula: C18H12FN3O3

MW: 337.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	337.3
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	337.08626942
Monoisotopic Mass	337.08626942
Topological Polar Surface Area	77.3 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	536
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
565575	NCGC00029283