2-(2-Bromophenyl)-1-(morpholin-4-yl)ethan-1-one
Basic information
- CAS
76016-38-1- Standard SMILES
O=C(Cc1ccccc1Br)N1CCOCC1- InChIKey
BNIMNPAXLSQYBU-UHFFFAOYSA-N- Molecular formula
- C12H14BrNO2
- Average molar mass
- 284.15 g/mol
- Monoisotopic mass
- 283.02079
Names & identifiers
- Preferred name
- 2-(2-Bromophenyl)-1-(morpholin-4-yl)ethan-1-one
- IUPAC
- 2-(2-bromophenyl)-1-morpholin-4-ylethanone
- English name
- 2-(2-Bromophenyl)-1-morpholinoethanone
- Molecular formula
- C12H14BrNO2
- Molecular weight
- 284.15
Names & synonyms
76016-38-12-(2-Bromophenyl)-1-(morpholin-4-yl)ethan-1-oneDTXSID10608899RefChem:250483DTXCID705596562-(2-Bromophenyl)-1-morpholinoethanoneMFCD120260082-(2-bromophenyl)-1-morpholin-4-ylethanoneSCHEMBL6227110AKOS015835161BS-25956CS-0211801
Show more names
3-(2-broMophenyl)-1-Morpholinopropan-1-one2-(2-Bromophenyl)-1-(4-morpholinyl)ethanone1-Bromo-2-(1-morpholinocarbonylmethyl)benzeneEthanone, 2-(2-bromophenyl)-1-(4-morpholinyl)-
2-(2-bromophenyl)-1-morpholin-4-yl-ethanoneN10150
Database identifiers
- CAS
76016-38-1- PubChem CID
- 20575583
- DTXSID
DTXSID10608899
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 432.8 · 432.8±45.0 °C(Predicted)
- Density
- 1.444 · 1.444±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -0.96 · -0.96±0.20(Predicted)
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 22
- hazard_code
- Xn
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Related reactions
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Compound notes
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