1',1'-Acrylonaphthone, 3-chloro-
Basic information
- CAS
25872-02-0- Standard SMILES
O=C(/C=C/Cl)c1cccc2ccccc12- InChIKey
FVAJBZADZNHVMM-UHFFFAOYSA-N- Molecular formula
- C13H9ClO
- Average molar mass
- 216.66 g/mol
- Monoisotopic mass
- 216.0341926
Names & identifiers
- Preferred name
- 1',1'-Acrylonaphthone, 3-chloro-
- IUPAC
- (E)-3-chloro-1-naphthalen-1-ylprop-2-en-1-one
- English name
- 1-Naphtyl(2-chlorovinyl) ketone
- Molecular formula
- C13H9ClO
- Molecular weight
- 216.66
Names & synonyms
1',1'-Acrylonaphthone, 3-chloro-25872-02-0RefChem:10513723-Chloro-1-acrylonaphthoneBRN 28316143-Chloro-1',1'-acrylonaphthone1-Naphtyl(2-chlorovinyl) ketone2-Propen-1-one, 3-chloro-1-(1-naphthalenyl)-
Database identifiers
- CAS
25872-02-0- PubChem CID
- 6445253
- Nikkaji
- J83.965E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Boiling point
- 343.6 · 343.6±34.0 °C(Predicted)
- Density
- 1.226 · 1.226±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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