- InChI
- InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
- InChI Key
- TZFWDZFKRBELIQ-UHFFFAOYSA-N
- Formula
- C7H4ClNO2
- SMILES
- O=c1[nH]c2cc(Cl)ccc2o1
- Molecular Weight1
- 169.56
- CAS
- 95-25-0
- Other Names
-
- 2(3H)-Benzoxazolone, 5-chloro-
- 2-Benzoxazolinone, 5-chloro-
- 2-Hydroxy-5-chlorobenzoxazole
- 5-Chlorbenzoxazolin-2-on
- 5-Chloro-2-benzoxazolinone
- 5-Chloro-2-benzoxazolol
- 5-Chloro-2-benzoxazolone
- 5-Chloro-2-hydroxybenzoxazole
- 5-Chloro-3(H)-2-benzoxazolone
- 5-Chlorobenzoksazolinon-2
- 5-Chlorobenzoksazolon-2
- 5-Chlorobenzoxazol-2-one
- 5-Chlorobenzoxazolidone
- 5-Chlorobenzoxazolinone
- 5-Chlorobenzoxazolone
- Biomioran
- Chloroxazone
- Chlorzoxazon
- Escoflex
- Flexazone
- Mioran
- Miotran
- Myoflexin
- Myoflexine
- NSC 26189
- Neoflex
- Paraflex
- Parafon Forte DSC
- Pathorysin
- Solaxin
- USAF MA-10
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | [-2.83; -2.66] |
|
|
| log10WS | -2.66 | Aq. Sol... | |
| log10WS | -2.83 | Estimat... | |
| log10WS | -2.83 | Rytting... | |
| logPoct/wat | 1.293 | Crippen Calculated Property | |
| McVol | 104.530 | ml/mol | McGowan Calculated Property |
| Inp | [1714.00; 1728.00] |
|
|
| Inp | 1714.00 | NIST | |
| Inp | 1728.00 | NIST | |
| Inp | 1728.00 | NIST | |
| Tfus | 366.27 | K | Aq. Sol... |
Similar Compounds
Find more compounds similar to Chlorzoxazone.
Sources
- Crippen Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- Aqueous and cosolvent solubility data for drug-like organic compounds
- McGowan Method
- NIST Webbook
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