3-(2,4-Dichloro-3,5-dimethylphenoxy)pyrrolidine
Basic information
- CAS
946681-98-7- Standard SMILES
Cc1cc(OC2CCNC2)c(Cl)c(C)c1Cl- InChIKey
JVLXGRRAAAWLKM-UHFFFAOYSA-N- Molecular formula
- C12H15Cl2NO
- Average molar mass
- 260.16 g/mol
- Monoisotopic mass
- 259.0530695
Names & identifiers
- Preferred name
- 3-(2,4-Dichloro-3,5-dimethylphenoxy)pyrrolidine
- IUPAC
- 3-(2,4-dichloro-3,5-dimethylphenoxy)pyrrolidine
- English name
- 3-(2,4-Dichloro-3,5-dimethylphenoxy)pyrrolidine
- Molecular formula
- C12H15Cl2NO
- Molecular weight
- 260.16
Names & synonyms
3-(2,4-DICHLORO-3,5-DIMETHYLPHENOXY)PYRROLIDINE946681-98-7Pyrrolidine, 3-(2,4-dichloro-3,5-dimethylphenoxy)-DTXSID501243210AKOS015850108
Database identifiers
- CAS
946681-98-7- PubChem CID
- 45075540
- DTXSID
DTXSID501243210
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Hazard Codes
- Xi
- 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_code
- Xi
- hazard_class
- IRRITANT
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Compound notes
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