Basic information
- CAS
898754-97-7- Standard SMILES
O=C(c1ccc(Br)c(F)c1)c1ccccc1CN1CCC1- InChIKey
OGAVKDGYZRFLAX-UHFFFAOYSA-N- Molecular formula
- C17H15BrFNO
- Average molar mass
- 348.2 g/mol
- Monoisotopic mass
- 347.0321
Names & identifiers
- Preferred name
- (2-(Azetidin-1-ylmethyl)phenyl)(4-bromo-3-fluorophenyl)methanone
- IUPAC
- [2-(azetidin-1-ylmethyl)phenyl]-(4-bromo-3-fluorophenyl)methanone
- English name
- 2'-AZETIDINOMETHYL-4-BROMO-3-FLUOROBENZOPHENONE
- Molecular formula
- C17H15BrFNO
- Molecular weight
- 348.21
Names & synonyms
898754-97-7(2-(Azetidin-1-ylmethyl)phenyl)(4-bromo-3-fluorophenyl)methanone2'-Azetidinomethyl-4-bromo-3-fluorobenzophenone[2-(azetidin-1-ylmethyl)phenyl]-(4-bromo-3-fluorophenyl)methanone1-{[2-(4-BROMO-3-FLUOROBENZOYL)PHENYL]METHYL}AZETIDINEDTXSID806437122'-AZETIDIN-1-YLMETHYL-4-BROMO-3-FLUOROBENZOPHENONEAKOS016020728SB51610[2-(1-Azetidinylmethyl)phenyl](4-bromo-3-fluorophenyl)methanone{2-[(Azetidin-1-yl)methyl]phenyl}(4-bromo-3-fluorophenyl)methanoneMethanone, [2-(1-azetidinylmethyl)phenyl](4-bromo-3-fluorophenyl)-
Database identifiers
- CAS
898754-97-7- PubChem CID
- 24725317
- DTXSID
DTXSID80643712
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- Boiling point
- 453.2 · 453.2±45.0 °C(Predicted)
- Density
- 1.457 · 1.457±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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