Basic information
- Standard SMILES
O=C(OCc1ccccc1)N1CCc2c(Br)ccc(F)c2C1- InChIKey
GIGRJDFPPFDIFT-UHFFFAOYSA-N- Molecular formula
- C17H15BrFNO2
- Average molar mass
- 364.2 g/mol
- Monoisotopic mass
- 363.02702
Names & identifiers
- Preferred name
- Benzyl 5-bromo-8-fluoro-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
- IUPAC
- benzyl 5-bromo-8-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylate
Names & synonyms
1445891-48-4benzyl 5-bromo-8-fluoro-1,2,3,4-tetrahydroisoquinoline-2-carboxylateSCHEMBL15056959SCHEMBL30031492GIGRJDFPPFDIFT-UHFFFAOYSA-NDB-429554EN300-28300216benzyl 5-bromo-8-fluoro-3,4-dihydroisoquinoline-2(1H)-carboxylate5-bromo-8-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester
Database identifiers
- PubChem CID
- 89649301
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 389
Related reactions
1 records
Compound notes
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