3-[(2-Chloro-4-nitrophenanthridin-6-yl)amino]propan-1-ol
Basic information
- CAS
38052-97-0- Standard SMILES
O=[N+]([O-])c1cc(Cl)cc2c1nc(NCCCO)c1ccccc12- InChIKey
QSWALLJYPODQLP-UHFFFAOYSA-N- Molecular formula
- C16H14ClN3O3
- Average molar mass
- 331.75 g/mol
- Monoisotopic mass
- 331.072369
Names & identifiers
- Preferred name
- 3-[(2-Chloro-4-nitrophenanthridin-6-yl)amino]propan-1-ol
- IUPAC
- 3-[(2-chloro-4-nitrophenanthridin-6-yl)amino]propan-1-ol
Names & synonyms
38052-97-03-[(2-chloro-4-nitrophenanthridin-6-yl)amino]propan-1-olNSC158128DTXSID90303390NSC-158128
Database identifiers
- CAS
38052-97-0- PubChem CID
- 292397
- DTXSID
DTXSID90303390
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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