4-Chloro-2-(beta-methoxyethyl)amino-6-(beta-methoxyethyl)aminonitrobenzene
Basic information
- Standard SMILES
COCCNc1cc(Cl)cc(NCCOC)c1[N+](=O)[O-]- InChIKey
IMXYORQPHPRTHS-UHFFFAOYSA-N- Molecular formula
- C12H18ClN3O4
- Average molar mass
- 303.74 g/mol
- Monoisotopic mass
- 303.0985838
Names & identifiers
- Preferred name
- 4-Chloro-2-(beta-methoxyethyl)amino-6-(beta-methoxyethyl)aminonitrobenzene
- IUPAC
- 5-chloro-1-N,3-N-bis(2-methoxyethyl)-2-nitrobenzene-1,3-diamine
Names & synonyms
SCHEMBL9771656IMXYORQPHPRTHS-UHFFFAOYSA-N4-chloro-2-(beta-methoxyethyl)amino-6-(beta-methoxyethyl)aminonitrobenzene
Database identifiers
- PubChem CID
- 20071082
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 270
Related reactions
5 records
Compound notes
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