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Antiparasitic agent-6

CAT: 0013-GTR19187635-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187635-01Size:25 mg
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Description
Antiparasitic agent-6
CAS Number
2253996-73-3
Field of Research
Infectious Disease & Virology
Smiles
C (C (O) C1=CC=C (C#N) C=C1) (=C) C2=NC (=NO2) C3=CC=C (OC) C=C3
Molecular Formula
C19H15N3O3
Molecular Weight
333.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Antiparasitic agent-6
CAS Number2253996-73-3
PubChem CID162677359
IUPAC Name4-[1-hydroxy-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]prop-2-enyl]benzonitrile
Molecular FormulaC19H15N3O3
Molecular Weight333.3
XLogP3.4
Topological Polar Surface Area92.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity501
SMILES
COC1=CC=C(C=C1)C2=NOC(=N2)C(=C)C(C3=CC=C(C=C3)C#N)O
InChI
InChI=1S/C19H15N3O3/c1-12(17(23)14-5-3-13(11-20)4-6-14)19-21-18(22-25-19)15-7-9-16(24-2)10-8-15/h3-10,17,23H,1H2,2H3
InChIKey
DGIYZLSIKDNRBQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antiparasitic agent-6
CAS: 2253996-73-3
CID: 162677359
Formula: C19H15N3O3
MW: 333.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.3
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass333.11134135
Monoisotopic Mass333.11134135
Topological Polar Surface Area92.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity501
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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