Basic information
- CAS
14823-27-9- Standard SMILES
Clc1ccc2oc(SCC[NH+]3CCCCC3)nc2c1.[Cl-]- InChIKey
HECCYONFFOJMBB-UHFFFAOYSA-N- Molecular formula
- C14H18Cl2N2OS
- Average molar mass
- 333.3 g/mol
- Monoisotopic mass
- 332.0516898
Names & identifiers
- Preferred name
- Benzoxazole, 5-chloro-2-((2-piperidinoethyl)thio)-, monohydrochloride
- IUPAC
- 5-chloro-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole chloride
Names & synonyms
5-Chloro-2-((2-piperidinoethyl)thio)benzoxazole hydrochloride14823-27-9BENZOXAZOLE, 5-CHLORO-2-((2-PIPERIDINOETHYL)THIO)-, MONOHYDROCHLORIDERefChem:328275
Database identifiers
- CAS
14823-27-9- PubChem CID
- 26930
Properties
Computed structural properties
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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