Basic information
- CAS
30914-43-3- Standard SMILES
CC1(C)C=CCC(C)(C)N1CCc1c(Cl)cccc1C(=O)O- InChIKey
IMMOCISJLDODTN-UHFFFAOYSA-N- Molecular formula
- C18H24ClNO2
- Average molar mass
- 321.8 g/mol
- Monoisotopic mass
- 321.1495567
Names & identifiers
- Preferred name
- Benzoic acid, m-chloro-, 2-(3,6-dihydro-2,2,6,6-tetramethyl-1(2H)-pyridyl)ethyl ester
- IUPAC
- 3-chloro-2-[2-(2,2,6,6-tetramethyl-3H-pyridin-1-yl)ethyl]benzoic acid
Names & synonyms
Benzoic acid, m-chloro-, 2-(3,6-dihydro-2,2,6,6-tetramethyl-1(2H)-pyridyl)ethyl ester30914-43-3DTXSID60184911m-Chlorobenzoic acid 2-(3,6-dihydro-2,2,6,6-tetramethyl-1(2H)-pyridyl)ethyl esterRefChem:327740DTXCID001074023-Chloro-2-[2-(2,2,6,6-tetramethyl-3,6-dihydropyridin-1(2H)-yl)ethyl]benzoic acid
Database identifiers
- CAS
30914-43-3- PubChem CID
- 35680
- DTXSID
DTXSID60184911
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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