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Chlorzoxazone 500mg

CAT: 0628-A16449-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A16449-500Size:500 mg
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CAS Number
95-25-0

Chemical Information

Chlorzoxazone

Chlorzoxazone is a member of the class of 1,3-benzoxazoles that is 1,3-benzoxazol-2-ol in which the hydrogen atom at position 5 is substituted by chlorine. A centrally acting muscle relaxant with sedative properties, it is used for the symptomatic treatment of painful muscle spasm. It has a role as a sedative and a muscle relaxant. It is an organochlorine compound, a member of 1,3-benzoxazoles and a heteroaryl hydroxy compound.

CAS Number95-25-0
PubChem CID2733
IUPAC Name5-chloro-3H-1,3-benzoxazol-2-one
Molecular FormulaC7H4ClNO2
Molecular Weight169.56
XLogP1.8
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity185
SMILES
C1=CC2=C(C=C1Cl)NC(=O)O2
InChI
InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
InChIKey
TZFWDZFKRBELIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chlorzoxazone
CAS: 95-25-0
CID: 2733
Formula: C7H4ClNO2
MW: 169.56
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight169.56
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass168.9930561
Monoisotopic Mass168.9930561
Topological Polar Surface Area38.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity185
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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