Basic information
- CAS
42839-74-7- Standard SMILES
COc1cc(Br)c2c(c1CN1CCCCC1)-c1ccccc1C2=O- InChIKey
BHQBKQHTGJEDEM-UHFFFAOYSA-N- Molecular formula
- C20H20BrNO2
- Average molar mass
- 386.3 g/mol
- Monoisotopic mass
- 385.06774
Names & identifiers
- Preferred name
- 9H-Fluoren-9-one, 1-bromo-3-methoxy-4-(1-piperidinylmethyl)-
- IUPAC
- 1-bromo-3-methoxy-4-(piperidin-1-ylmethyl)fluoren-9-one
Names & synonyms
BRN 12620679H-Fluoren-9-one, 1-bromo-3-methoxy-4-(1-piperidinylmethyl)-42839-74-71-Bromo-3-methoxy-4-(1-piperidinylmethyl)-9H-fluoren-9-oneDTXSID301955145-20-02-00415 (Beilstein Handbook Reference)RefChem:313444DTXCID701180051-Bromo-3-methoxy-4-[(piperidin-1-yl)methyl]-9H-fluoren-9-one
Database identifiers
- CAS
42839-74-7- PubChem CID
- 206089
- DTXSID
DTXSID30195514
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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