4-[2-Nitro-4-(trifluoromethyl)phenoxy]piperidine hydrochloride
Basic information
- CAS
1220016-41-0- Standard SMILES
Cl.O=[N+]([O-])c1cc(C(F)(F)F)ccc1OC1CCNCC1- InChIKey
JHVAIMRJXSQGDQ-UHFFFAOYSA-N- Molecular formula
- C12H14ClF3N2O3
- Average molar mass
- 326.7 g/mol
- Monoisotopic mass
- 326.0645045
Names & identifiers
- Preferred name
- 4-[2-Nitro-4-(trifluoromethyl)phenoxy]piperidine hydrochloride
- IUPAC
- 4-[2-nitro-4-(trifluoromethyl)phenoxy]piperidine;hydrochloride
- English name
- 4-[2-Nitro-4-(trifluoromethyl)phenoxy]piperidinehydrochloride
- Molecular formula
- C12H14ClF3N2O3
- Molecular weight
- 326.7
Names & synonyms
1220016-41-04-(2-Nitro-4-(trifluoromethyl)phenoxy)piperidine hydrochloride4-[2-Nitro-4-(trifluoromethyl)phenoxy]piperidine hydrochloride4-[2-nitro-4-(trifluoromethyl)phenoxy]piperidine;hydrochloride4-[2-Nitro-4-(trifluoromethyl)phenoxy]piperidinehydrochloride4-(2-Nitro-4-(trifluoromethyl)phenoxy)piperidinehydrochlorideAKOS015843649
Database identifiers
- CAS
1220016-41-0- PubChem CID
- 56831294
Properties
Computed structural properties
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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