5,7-Dibromo-3,4-dihydro-2H-isoquinolin-1-one
Basic information
- CAS
1082042-10-1- Standard SMILES
O=C1NCCc2c(Br)cc(Br)cc21- InChIKey
CGFMMAVRQJITIF-UHFFFAOYSA-N- Molecular formula
- C9H7Br2NO
- Average molar mass
- 304.97 g/mol
- Monoisotopic mass
- 302.88944
Names & identifiers
- Preferred name
- 5,7-Dibromo-3,4-dihydro-2H-isoquinolin-1-one
- IUPAC
- 5,7-dibromo-3,4-dihydro-2H-isoquinolin-1-one
Names & synonyms
1082042-10-15,7-Dibromo-3,4-dihydro-2H-isoquinolin-1-one5,7-dibromo-3,4-dihydroisoquinolin-1(2H)-oneDTXSID8012588845,7-Dibromo-3,4-dihydro-1(2H)-isoquinolinone
Database identifiers
- CAS
1082042-10-1- PubChem CID
- 53399375
- DTXSID
DTXSID801258884
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 222
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…