5-(3-Bromo-propoxy)-6-methoxy-indan-1-one

HCID 18445676
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Basic information

Standard SMILES
COc1cc2c(cc1OCCCBr)CCC2=O
InChIKey
ABPUGAZGPPTXSO-UHFFFAOYSA-N
Molecular formula
C13H15BrO3
Average molar mass
299.16 g/mol
Monoisotopic mass
298.02046

Names & identifiers

Preferred name
5-(3-Bromo-propoxy)-6-methoxy-indan-1-one
IUPAC
5-(3-bromopropoxy)-6-methoxy-2,3-dihydroinden-1-one

Names & synonyms

SCHEMBL3081962ABPUGAZGPPTXSO-UHFFFAOYSA-N5-(3-Bromo-propoxy)-6-methoxy-indan-1-one

Database identifiers

PubChem CID
18445676

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
17

Related reactions

6 records
New reaction record

Compound notes

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