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Cyclobendazole

CAT: 0013-GTR19200432-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200432-01Size:25 mg
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Description
Cyclobendazole
CAS Number
31431-43-3
Field of Research
Infectious Disease & Virology
Smiles
O=C (OC) NC1=NC=2C=CC (=CC2N1) C (=O) C3CC3
Molecular Formula
C13H13N3O3
Molecular Weight
259.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cyclobendazole

Ciclobendazole is a member of benzimidazoles and a carbamate ester.

CAS Number31431-43-3
PubChem CID35803
IUPAC Namemethyl N-[6-(cyclopropanecarbonyl)-1H-benzimidazol-2-yl]carbamate
Molecular FormulaC13H13N3O3
Molecular Weight259.26
XLogP1.6
Topological Polar Surface Area84.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity383
SMILES
COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3CC3
InChI
InChI=1S/C13H13N3O3/c1-19-13(18)16-12-14-9-5-4-8(6-10(9)15-12)11(17)7-2-3-7/h4-7H,2-3H2,1H3,(H2,14,15,16,18)
InChIKey
OXLKOMYHDYVIDM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclobendazole
CAS: 31431-43-3
CID: 35803
Formula: C13H13N3O3
MW: 259.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.26
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass259.09569129
Monoisotopic Mass259.09569129
Topological Polar Surface Area84.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity383
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

Alternative Products

CatalogName
T23922-01Cyclobendazole

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