Basic information
- CAS
898755-25-4- Standard SMILES
O=C(c1cc(Cl)ccc1Cl)c1ccccc1CN1CCC1- InChIKey
PHYPGJMIRFCBJB-UHFFFAOYSA-N- Molecular formula
- C17H15Cl2NO
- Average molar mass
- 320.2 g/mol
- Monoisotopic mass
- 319.0530695
Names & identifiers
- Preferred name
- 2'-Azetidinomethyl-2,5-dichlorobenzophenone
- IUPAC
- [2-(azetidin-1-ylmethyl)phenyl]-(2,5-dichlorophenyl)methanone
- English name
- 2'-Azetidinomethyl-2,5-dichlorobenzophenone
- Molecular formula
- C17H15Cl2NO
- Molecular weight
- 320.21
Names & synonyms
898755-25-42'-Azetidinomethyl-2,5-dichlorobenzophenone(2-(Azetidin-1-ylmethyl)phenyl)(2,5-dichlorophenyl)methanone[2-(azetidin-1-ylmethyl)phenyl]-(2,5-dichlorophenyl)methanone1-{[2-(2,5-DICHLOROBENZOYL)PHENYL]METHYL}AZETIDINE2'-AZETIDIN-1-YLMETHYL-2,5-DICHLOROBENZOPHENONEDTXSID70643726AKOS016020773SB516302-Azetidinomethyl-2,5-dichlorobenzophenone{2-[(Azetidin-1-yl)methyl]phenyl}(2,5-dichlorophenyl)methanoneMethanone, [2-(1-azetidinylmethyl)phenyl](2,5-dichlorophenyl)-
Database identifiers
- CAS
898755-25-4- PubChem CID
- 24725331
- DTXSID
DTXSID70643726
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- Boiling point
- 467.1 · 467.1±45.0 °C(Predicted)
- Density
- 1.321 · 1.321±0.06 g/cm3(Predicted)
- pka
- 8.18 · 8.18±0.10(Predicted)
Chemistry & industry
Suppliers2 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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