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210832-85-2 | Ethanone, 2-bromo-1-[4-(4-morpholinyl)phenyl]-
CAS No: 210832-85-2 Catalog No: AG002KZZ MDL No:MFCD03783555
Product Description
Catalog Number:
AG002KZZ
Chemical Name:
Ethanone, 2-bromo-1-[4-(4-morpholinyl)phenyl]-
CAS Number:
210832-85-2
Molecular Formula:
C12H14BrNO2
Molecular Weight:
284.1491
MDL Number:
MFCD03783555
IUPAC Name:
2-bromo-1-(4-morpholin-4-ylphenyl)ethanone
InChI:
InChI=1S/C12H14BrNO2/c13-9-12(15)10-1-3-11(4-2-10)14-5-7-16-8-6-14/h1-4H,5-9H2
InChI Key:
OUGMZFJPRSTGMJ-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(cc1)N1CCOCC1
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.153g/mol
Monoisotopic Mass:
283.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Switching reversibility to irreversibility in glycogen synthase kinase 3 inhibitors: clues for specific design of new compounds. | Journal of medicinal chemistry 20110623 |
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