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SJB3-019A 100mg

CAT: 0628-A12822-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A12822-100Size:100 mg
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CAS Number
2070015-29-9

Chemical Information

2-(Pyridin-3-yl)naphtho[2,3-d]oxazole-4,9-dione
CAS Number2070015-29-9
PubChem CID78358325
IUPAC Name2-pyridin-3-ylbenzo[f][1,3]benzoxazole-4,9-dione
Molecular FormulaC16H8N2O3
Molecular Weight276.25
XLogP2.5
Topological Polar Surface Area73.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity453
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)OC(=N3)C4=CN=CC=C4
InChI
InChI=1S/C16H8N2O3/c19-13-10-5-1-2-6-11(10)14(20)15-12(13)18-16(21-15)9-4-3-7-17-8-9/h1-8H
InChIKey
DOYPPVCQHGJUBC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Pyridin-3-yl)naphtho[2,3-d]oxazole-4,9-dione
CAS: 2070015-29-9
CID: 78358325
Formula: C16H8N2O3
MW: 276.25
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight276.25
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass276.05349212
Monoisotopic Mass276.05349212
Topological Polar Surface Area73.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity453
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes