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Cloracetodol

CAT: 0013-GTR19242298-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242298-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cloracetodol is a para-aminophenol NSAID exhibiting analgesic, anti-inflammatory, and antipyretic effects. It is utilized in research to investigate pain and inflammation pathways in both in vitro biochemical assays and in vivo animal models.
CAS Number
15687-05-5
Smiles
O=C (NC1=CC=C (OC (O) C (Cl) (Cl) Cl) C=C1) C
Molecular Formula
C10H10Cl3NO3
Molecular Weight
298.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Chloracetadol

structure given in first source

CAS Number15687-05-5
PubChem CID71685
IUPAC NameN-[4-(2,2,2-trichloro-1-hydroxyethoxy)phenyl]acetamide
Molecular FormulaC10H10Cl3NO3
Molecular Weight298.5
XLogP2.4
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity262
SMILES
CC(=O)NC1=CC=C(C=C1)OC(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C10H10Cl3NO3/c1-6(15)14-7-2-4-8(5-3-7)17-9(16)10(11,12)13/h2-5,9,16H,1H3,(H,14,15)
InChIKey
NFZJQAPVHJPJMD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chloracetadol
CAS: 15687-05-5
CID: 71685
Formula: C10H10Cl3NO3
MW: 298.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.5
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass296.972626
Monoisotopic Mass296.972626
Topological Polar Surface Area58.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity262
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
T202248-01Cloracetodol

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