Basic information
- CAS
144298-62-4- Standard SMILES
O=C1OC(=CBr)CCC1c1cccc2ccccc12- InChIKey
BYUCSFWXCMTYOI-UHFFFAOYSA-N- Molecular formula
- C16H13BrO2
- Average molar mass
- 317.18 g/mol
- Monoisotopic mass
- 316.00989
Names & identifiers
- Preferred name
- 2H-Pyran-2-one, 6-(bromomethylene)tetrahydro-3-(1-naphthalenyl)-
- IUPAC
- 6-(bromomethylidene)-3-naphthalen-1-yloxan-2-one
Names & synonyms
144298-62-4(6E)-Bromoenol lactone2H-Pyran-2-one, 6-(bromomethylene)tetrahydro-3-(1-naphthalenyl)-(6Z)-6-(bromomethylidene)-3-(naphthalen-1-yl)oxan-2-one6-(Bromomethylene)-3-(naphthalen-1-yl)tetrahydro-2H-pyran-2-oneE-6-(Bromomethylene)tetrahydro-3-(1-naphthalenyl)-2H-pyran-2-oneSCHEMBL2060074DTXSID40274369DS-000059NS000167496-(bromomethylidene)-3-(naphthalen-1-yl)oxan-2-one2H-pyran-2-one, 6-(bromomethylene)tetrahydro-3-(1-naphthalenyl)-,(3s,6e)-
Database identifiers
- CAS
144298-62-4- PubChem CID
- 2445
- DTXSID
DTXSID40274369
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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