NS9283

CAT: 0127-BUP07364-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP07364-02Size:5 mg

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

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CAS Number

913830-15-6

Synonyms

NS 9283, NS-9283

Purity

=98%

Smiles

C(#N)C=1C=C(C2=NC(=NO2)C=3C=CC=NC3)C=CC1

Chemical Information

NS9283

CAS Number	913830-15-6
PubChem CID	11998180
IUPAC Name	3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile
Molecular Formula	C14H8N4O
Molecular Weight	248.24
XLogP	2.1
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	353

SMILES

C1=CC(=CC(=C1)C2=NC(=NO2)C3=CN=CC=C3)C#N

InChI

InChI=1S/C14H8N4O/c15-8-10-3-1-4-11(7-10)14-17-13(18-19-14)12-5-2-6-16-9-12/h1-7,9H

InChIKey

HGFXDSQLRSWUBO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 913830-15-6

CID: 11998180

Formula: C14H8N4O

MW: 248.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.24
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	248.06981089
Monoisotopic Mass	248.06981089
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	353
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
M27906-01	NS9283