| CAS Number | 76016-38-1 |
| Catalog Number | AG008ORH(AGN-PC-0WA4Y9) |
| Chemical Name | 2-(2-Bromophenyl)-1-morpholinoethanone |
| IUPAC Name | 2-(2-bromophenyl)-1-morpholin-4-ylethanone |
| InChI | InChI=1S/C12H14BrNO2/c13-11-4-2-1-3-10(11)9-12(15)14-5-7-16-8-6-14/h1-4H,5-9H2 |
| InChI Key | BNIMNPAXLSQYBU-UHFFFAOYSA-N |
| MDL Number | MFCD12026008 |
| Molecular Formula | C12H14BrNO2 |
| Molecular Weight | 284.1491 |
| SMILES | O=C(N1CCOCC1)Cc1ccccc1Br |
| Synonyms | 2-(2-Bromophenyl)-1-morpholinoethanone,
76016-38-1,
2-(2-Bromophenyl)-1-(morpholin-4-yl)ethan-1-one,
ACMC-209p1c,
SCHEMBL6227110,
CTK5E2365,
DTXSID10608899,
ANW-36718,
MFCD12026008,
ZINC38537648,
AKOS015835161,
AJ-96191,
TR-024387,
B-4031,
I14-24668,
1-bromo-2-(1-morpholinocarbonylmethyl)benzene AldrichCPR,
1-bromo-2-(1-morpholinocarbonylmethyl)benzene, AldrichCPR,
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| Complexity | 241 |
| 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 | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.153g/mol |
| Monoisotopic Mass | 283.021g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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