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Antifungal agent 127

CAT: 0931-T206562-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T206562-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3070364-24-5
Target
Antifungal
Related Pathways
Microbiology/Virology
Bioactivity
Antifungalagent 127 (Compound 6c) is an antifungal agent with potent inhibitory activity against Botrytis cinerea and Rhizoctonia solani.
Smiles
ClC=1C=CC=2C=C(C3=NN=CO3)N(C2C1)CCC
Molecular Formula
C13H12ClN3O
Molecular Weight
261.707
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Antifungal agent 127
CAS Number3070364-24-5
PubChem CID173640875
IUPAC Name2-(6-chloro-1-propylindol-2-yl)-1,3,4-oxadiazole
Molecular FormulaC13H12ClN3O
Molecular Weight261.70
XLogP3
Topological Polar Surface Area43.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity291
SMILES
CCCN1C(=CC2=C1C=C(C=C2)Cl)C3=NN=CO3
InChI
InChI=1S/C13H12ClN3O/c1-2-5-17-11-7-10(14)4-3-9(11)6-12(17)13-16-15-8-18-13/h3-4,6-8H,2,5H2,1H3
InChIKey
FKGAGIXBKDKQAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antifungal agent 127
CAS: 3070364-24-5
CID: 173640875
Formula: C13H12ClN3O
MW: 261.70
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.70
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass261.0668897
Monoisotopic Mass261.0668897
Topological Polar Surface Area43.9 Ų
Heavy Atom Count18
Formal Charge0
Complexity291
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

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