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Clidanac

CAT: 0013-GTR19197878-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197878-02Size:50 mg
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Description
Clidanac
CAS Number
34148-01-1
Field of Research
Cell Biology, Metabolism Research, Pharmacology & Drug Discovery
Smiles
C (O) (=O) C1C=2C (=CC (=C (Cl) C2) C3CCCCC3) CC1
Molecular Formula
C16H19ClO2
Molecular Weight
278.77
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Clidanac

Clidanac is an organic molecular entity.

CAS Number34148-01-1
PubChem CID120108
IUPAC Name6-chloro-5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid
Molecular FormulaC16H19ClO2
Molecular Weight278.77
XLogP5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity338
SMILES
C1CCC(CC1)C2=C(C=C3C(CCC3=C2)C(=O)O)Cl
InChI
InChI=1S/C16H19ClO2/c17-15-9-13-11(6-7-12(13)16(18)19)8-14(15)10-4-2-1-3-5-10/h8-10,12H,1-7H2,(H,18,19)
InChIKey
OIRAEJWYWSAQNG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Clidanac
CAS: 34148-01-1
CID: 120108
Formula: C16H19ClO2
MW: 278.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.77
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass278.1073575
Monoisotopic Mass278.1073575
Topological Polar Surface Area37.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity338
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

Alternative Products

CatalogName
MBS5776763Clidanac

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