4-Chloro-2-nitro-N-[1-(pyridin-4-yl)ethyl]aniline
Basic information
- CAS
1154244-19-5- Standard SMILES
CC(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1- InChIKey
LAVSIHDGYXEWCB-UHFFFAOYSA-N- Molecular formula
- C13H12ClN3O2
- Average molar mass
- 277.7 g/mol
- Monoisotopic mass
- 277.0618043
Names & identifiers
- Preferred name
- 4-Chloro-2-nitro-N-[1-(pyridin-4-yl)ethyl]aniline
- IUPAC
- 4-chloro-2-nitro-N-(1-pyridin-4-ylethyl)aniline
Names & synonyms
DTXSID501187505AKOS0089223851154244-19-54-Chloro-2-nitro-N-[1-(pyridin-4-yl)ethyl]aniline4-Pyridinemethanamine, N-(4-chloro-2-nitrophenyl)-I+/--methyl-
Database identifiers
- CAS
1154244-19-5- PubChem CID
- 43395993
- DTXSID
DTXSID501187505
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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