Basic information
- Standard SMILES
CCN(CC)CCCOc1ccc(Cl)c([N+](=O)[O-])c1- InChIKey
NIIYLHYALRCMJZ-UHFFFAOYSA-N- Molecular formula
- C13H19ClN2O3
- Average molar mass
- 286.75 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-5-(3-diethylamino-1-propoxy)nitrobenzene
- IUPAC
- 3-(4-chloro-3-nitrophenoxy)-N,N-diethylpropan-1-amine
Names & synonyms
SCHEMBL4983657NIIYLHYALRCMJZ-UHFFFAOYSA-N2-chloro-5-(3-diethylamino-1-propoxy)nitrobenzene
Database identifiers
- PubChem CID
- 22014731
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 269
Related reactions
3 records
Compound notes
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