Basic information
- CAS
329922-48-7- Standard SMILES
O=[N+]([O-])c1ccc(Cl)cc1NCCOc1ccccc1- InChIKey
QXWJNBDFWNZSOV-UHFFFAOYSA-N- Molecular formula
- C14H13ClN2O3
- Average molar mass
- 292.72 g/mol
Names & identifiers
- Preferred name
- 5-chloro-2-nitro-N-(2-phenoxyethyl)aniline
- IUPAC
- 5-chloro-2-nitro-N-(2-phenoxyethyl)aniline
- English name
- 5-chloro-2-nitro-N-(2-phenoxyethyl)aniline
- Molecular formula
- C14H13ClN2O3
- Molecular weight
- 292.72
Names & synonyms
5-chloro-2-nitro-N-(2-phenoxyethyl)anilineSTK062167AKOS000423594329922-48-7ST006480EU-0002735(5-chloro-2-nitrophenyl)(2-phenoxyethyl)amineAG-205/07439039AG-690/11959644SR-01000411307SR-01000411307-1Benzenamine, 5-chloro-2-nitro-N-(2-phenoxyethyl)-
Database identifiers
- CAS
329922-48-7
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Boiling point
- 478.2 · 478.2±40.0 °C(Predicted)
- Density
- 1.345 · 1.345±0.06 g/cm3(Predicted)
- pka
- -0.85 · -0.85±0.50(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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