Basic information
- CAS
163130-55-0- Standard SMILES
O=c1oc2ccc(Br)cc2cc1-c1ccc2c(c1)OCCO2- InChIKey
BJSLOPIQUAAPPH-UHFFFAOYSA-N- Molecular formula
- C17H11BrO4
- Average molar mass
- 359.2 g/mol
- Monoisotopic mass
- 357.98407
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-2-one, 6-bromo-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-
- IUPAC
- 6-bromo-3-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-2-one
Names & synonyms
163130-55-02H-1-Benzopyran-2-one, 6-bromo-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-bromo-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2H-chromen-2-oneHMS1413L026-bromo-3-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-2-oneIFLab1_000596IFLab2_000045DTXSID20359688STK856834AKOS001612354IDI1_008815IDI1_019071
Show more names
SR-01000417016SR-01000417016-1Z57176334F0196-05526-bromo-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-chromen-2-one6-Bromo-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-1-benzopyran-2-one
Database identifiers
- CAS
163130-55-0- PubChem CID
- 984034
- DTXSID
DTXSID20359688
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 477
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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