3-Amino-1,4-dibromoisoquinoline
Basic information
- CAS
28970-70-9- Standard SMILES
Nc1nc(Br)c2ccccc2c1Br- InChIKey
TXFQCFIMHJMCQM-UHFFFAOYSA-N- Molecular formula
- C9H6Br2N2
- Average molar mass
- 301.96 g/mol
- Monoisotopic mass
- 299.88977
Names & identifiers
- Preferred name
- 3-Amino-1,4-dibromoisoquinoline
- IUPAC
- 1,4-dibromoisoquinolin-3-amine
Names & synonyms
28970-70-91,4-Dibromo-3-isoquinolinamine3-Amino-1,4-dibromoisoquinoline1,4-dibromoisoquinolin-3-amine1,4-dibromoisoquinolin-3-ylamineAC-907/25004867TXFQCFIMHJMCQM-UHFFFAOYSA-NDTXSID7013052481,4-Dibromo-3-isoquinolinamine #
Database identifiers
- CAS
28970-70-9- PubChem CID
- 627461
- DTXSID
DTXSID701305248
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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