4-Chloro-2-(beta-hydroxypropyl)amino-6-(beta-hydroxypropyl)aminonitrobenzene
Basic information
- Standard SMILES
CC(O)CNc1cc(Cl)cc(NCC(C)O)c1[N+](=O)[O-]- InChIKey
DDOOJQQGXRBNIR-UHFFFAOYSA-N- Molecular formula
- C12H18ClN3O4
- Average molar mass
- 303.74 g/mol
- Monoisotopic mass
- 303.0985838
Names & identifiers
- Preferred name
- 4-Chloro-2-(beta-hydroxypropyl)amino-6-(beta-hydroxypropyl)aminonitrobenzene
- IUPAC
- 1-[5-chloro-3-(2-hydroxypropylamino)-2-nitroanilino]propan-2-ol
Names & synonyms
SCHEMBL9771641DDOOJQQGXRBNIR-UHFFFAOYSA-N4-chloro-2-(beta-hydroxypropyl)amino-6-(beta-hydroxypropyl)aminonitrobenzene
Database identifiers
- PubChem CID
- 20071092
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 294
Related reactions
3 records
Compound notes
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