Basic information
- Standard SMILES
CCN(CC)CCOc1ccc([N+](=O)[O-])c(Cl)c1- InChIKey
IQXINSASHHCOTQ-UHFFFAOYSA-N- Molecular formula
- C12H17ClN2O3
- Average molar mass
- 272.73 g/mol
- Monoisotopic mass
- 272.0927701
Names & identifiers
- Preferred name
- [2-(3-Chloro-4-nitrophenoxy)ethyl]diethylamine
- IUPAC
- 2-(3-chloro-4-nitrophenoxy)-N,N-diethylethanamine
Names & synonyms
SCHEMBL3858737IQXINSASHHCOTQ-UHFFFAOYSA-NAKOS019017904[2-(3-chloro-4-nitrophenoxy)ethyl]diethylamine[2-(3-chloro-4-nitro-phenoxy)-ethyl]diethyl-amine
Database identifiers
- PubChem CID
- 68816613
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 256
Related reactions
5 records
Compound notes
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