Basic information
- CAS
244613-09-0- Standard SMILES
O=C1C(=Cc2cccc(Br)c2)CCc2ccccc21- InChIKey
RXQZJBJGVUPGNK-UHFFFAOYSA-N- Molecular formula
- C17H13BrO
- Average molar mass
- 313.2 g/mol
- Monoisotopic mass
- 312.01498
Names & identifiers
- Preferred name
- 1(2H)-Naphthalenone, 2-[(3-bromophenyl)methylene]-3,4-dihydro-
- IUPAC
- 2-[(3-bromophenyl)methylidene]-3,4-dihydronaphthalen-1-one
Names & synonyms
2-[(3-Bromophenyl)methylidene]-3,4-dihydronaphthalen-1(2H)-one244613-09-01(2H)-Naphthalenone, 2-[(3-bromophenyl)methylene]-3,4-dihydro-SCHEMBL8543554DTXSID90327798NCI60_031585
Database identifiers
- CAS
244613-09-0- PubChem CID
- 390329
- DTXSID
DTXSID90327798- EC Number
- 806-515-4
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 373
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…