1-Isoquinolinamine, 4-bromo-5-fluoro-8-nitro-N-2-propen-1-yl-
Basic information
- CAS
1369170-25-1- Standard SMILES
C=CCNc1ncc(Br)c2c(F)ccc([N+](=O)[O-])c12- InChIKey
VUGZWPHZKYIWBU-UHFFFAOYSA-N- Molecular formula
- C12H9BrFN3O2
- Average molar mass
- 326.12 g/mol
- Monoisotopic mass
- 324.98622
Names & identifiers
- Preferred name
- 1-Isoquinolinamine, 4-bromo-5-fluoro-8-nitro-N-2-propen-1-yl-
- IUPAC
- 4-bromo-5-fluoro-8-nitro-N-prop-2-enylisoquinolin-1-amine
Names & synonyms
DTXSID9011819111-Isoquinolinamine, 4-bromo-5-fluoro-8-nitro-N-2-propen-1-yl-4-Bromo-5-fluoro-8-nitro-N-(prop-2-en-1-yl)isoquinolin-1-amine1369170-25-1
Database identifiers
- CAS
1369170-25-1- PubChem CID
- 97698308
- DTXSID
DTXSID901181911
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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