2-(beta-Hydroxyethyl)amino-6-(beta-hydroxyethyl)amino-4-chloronitrobenzene
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Basic information
- Standard SMILES
O=[N+]([O-])c1c(NCCO)cc(Cl)cc1NCCO- InChIKey
DASODYHLPDVYDE-UHFFFAOYSA-N- Molecular formula
- C10H14ClN3O4
- Average molar mass
- 275.69 g/mol
- Monoisotopic mass
- 275.0672836
Names & identifiers
- Preferred name
- 2-(beta-Hydroxyethyl)amino-6-(beta-hydroxyethyl)amino-4-chloronitrobenzene
- IUPAC
- 2-[5-chloro-3-(2-hydroxyethylamino)-2-nitroanilino]ethanol
Names & synonyms
SCHEMBL9771617DASODYHLPDVYDE-UHFFFAOYSA-N2-(beta-hydroxyethyl)amino-6-(beta-hydroxyethyl)amino-4-chloronitrobenzene4-chloro-2-(beta-hydroxyethyl)amino-6-(beta-hydroxyethyl)aminonitrobenzene
Database identifiers
- PubChem CID
- 20071091
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 246
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Related reactions
9 records
Compound notes
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