3-Chloro-2,3-diphenylpropiophenone
Basic information
- CAS
7469-01-4- Standard SMILES
O=C(c1ccccc1)C(c1ccccc1)C(Cl)c1ccccc1- InChIKey
HYMIKXVDTULUIP-UHFFFAOYSA-N- Molecular formula
- C21H17ClO
- Average molar mass
- 320.8 g/mol
- Monoisotopic mass
- 320.0967929
Overview
non-steroidal anti-estrogen
Names & identifiers
- Preferred name
- 3-Chloro-2,3-diphenylpropiophenone
- IUPAC
- 3-chloro-1,2,3-triphenylpropan-1-one
- English name
- ω-Chloro-β,ω-diphenylpropiophenone
- Molecular formula
- C21H17ClO
- Molecular weight
- 320.81
Names & synonyms
3-Chloro-1,2,3-triphenyl-1-propanone7469-01-43-Chloro-2,3-diphenylpropiophenoneE-383RefChem:933733-chloro-1,2,3-triphenylpropan-1-oneomega-Chloro-beta,omega-diphenylpropiophenoneNSC401205DTXSID50996207AKOS002664661AKOS016043550NSC 401205
Show more names
ω-Chloro-β,ω-diphenylpropiophenone
NSC-401205E 383
Database identifiers
- CAS
7469-01-4- PubChem CID
- 101113
- DTXSID
DTXSID50996207
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Melting point
- 175 · 175-176 °C
- Boiling point
- 459.527 · 459.527±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.181 · 1.181±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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