chempirical

Chlorzoxazone

C7H4ClNO2CAS 95-25-0169.56 g/mol

Open in Covalent MOL file
HONClO
Aryl halidePhenol

Properties

Molecular formula
C7H4ClNO2
Molar mass
169.56 g/mol
Exact mass
168.9931 Da
Melting point
191.5 °C
logP
2.19Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
95-25-0
SMILES
Oc1nc2cc(Cl)ccc2o1
InChIKey
TZFWDZFKRBELIQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

28 names · show all
  • 2(3H)-Benzoxazolone, 5-chloro-
  • 2-Benzoxazolinone, 5-chloro-
  • 5-Chloro-2(3H)-benzoxazolone
  • 5-Chlorobenzoxazolidone
  • 5-Chloro-2-benzoxazolinone
  • Chloroxazone
  • Paraflex
  • Solaxin
  • Myoflexine
  • 5-Chlorobenzoxazolone
  • 5-Chloro-2-benzoxazolone
  • 5-Chloro-2-benzoxazolol
  • 5-Chloro-2-hydroxybenzoxazole
  • 2-Hydroxy-5-chlorobenzoxazole
  • Biomioran
  • Mioran
  • Miotran
  • Myoflexin
  • Neoflex
  • Escoflex
  • Pathorysin
  • Parafon forte DSC
  • NSC 26189
  • 5-Chloro-2-oxo-3H-benzoxazole
  • 5-Chloro-3H-benzoxazol-2-one
  • 5-Chloro-1,3-benzoxazol-2(3H)-one
  • Parfon-forte
  • Cipzox

Work with Chlorzoxazone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Dichlorobenzooxazole3621-81-663 % similar 5-Bromo-2-benzoxazolinone14733-73-459 % similar 5-Chloro-2-methylbenzoxazole19219-99-959 % similar 5-Chloro-2-mercaptobenzoxazole22876-19-359 % similar 5-Chloroisatoic anhydride4743-17-355 % similar 2(3H)-Benzoxazolone59-49-453 % similar 6-Bromo-2(3H)-benzoxazolone19932-85-546 % similar 5-Chlorobenzoxazole17200-29-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

6-Chloro-2,3-dihydrobenzoxazol-2-one19932-84-4 6-Chloro-3-hydroxy-1,2-benzisoxazole61977-29-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook