Basic information
- CAS
299425-58-4- Standard SMILES
CC(N)CNc1ccc(Cl)cc1[N+](=O)[O-].Cl- InChIKey
QKRSYYJGYRCEQL-UHFFFAOYSA-N- Molecular formula
- C9H13Cl2N3O2
- Average molar mass
- 266.12 g/mol
- Monoisotopic mass
- 265.0384821
Names & identifiers
- Preferred name
- N~1~-(4-chloro-2-nitrophenyl)propane-1,2-diamine hydrochloride
- IUPAC
- 1-N-(4-chloro-2-nitrophenyl)propane-1,2-diamine;hydrochloride
Names & synonyms
N~1~-(4-chloro-2-nitrophenyl)propane-1,2-diamine hydrochlorideAKOS000439517AKOS024274662ST006412
Database identifiers
- CAS
299425-58-4- PubChem CID
- 2829590
Properties
Computed structural properties
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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