Basic information
- CAS
898770-54-2- Standard SMILES
O=C(c1cccc(CN2CCCC2)c1)c1ccc(Cl)c(F)c1- InChIKey
TXNIYDOBXHVIFZ-UHFFFAOYSA-N- Molecular formula
- C18H17ClFNO
- Average molar mass
- 317.8 g/mol
- Monoisotopic mass
- 317.09827
Names & identifiers
- Preferred name
- 4-Chloro-3-fluoro-3'-pyrrolidinomethyl benzophenone
- IUPAC
- (4-chloro-3-fluorophenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
- English name
- 4-Chloro-3-fluoro-3'-pyrrolidinomethyl benzophenone
- Molecular formula
- C18H17ClFNO
- Molecular weight
- 317.79
Names & synonyms
898770-54-24-chloro-3-fluoro-3'-pyrrolidinomethyl benzophenoneMFCD03842035(4-chloro-3-fluorophenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone4-chloro-3-fluoro-3'-pyrrolidinomethylbenzophenoneDTXSID70643206(4-chloro-3-fluoro-phenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanoneAKOS0160205054-Chloro-3-fluoro-3-pyrrolidinomethyl benzophenoneF204796(4-Chloro-3-fluorophenyl)[3-(1-pyrrolidinylmethyl)phenyl]methanone(4-Chloro-3-fluorophenyl){3-[(pyrrolidin-1-yl)methyl]phenyl}methanone
Show more names
Methanone, (4-chloro-3-fluorophenyl)[3-(1-pyrrolidinylmethyl)phenyl]-
Database identifiers
- CAS
898770-54-2- PubChem CID
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- Boiling point
- 442.9 · 442.9±45.0 °C(Predicted)
- Density
- 1.259 · 1.259±0.06 g/cm3(Predicted)
- pka
- 9.33 · 9.33±0.20(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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