| CAS Number | 1261911-20-9 |
| Catalog Number | AG000S58(AGN-PC-0WAA28) |
| Chemical Name | 4-Bromo-2-ethoxy-1-morpholinocarbonylbenzene |
| IUPAC Name | (4-bromo-2-ethoxyphenyl)-morpholin-4-ylmethanone |
| InChI | InChI=1S/C13H16BrNO3/c1-2-18-12-9-10(14)3-4-11(12)13(16)15-5-7-17-8-6-15/h3-4,9H,2,5-8H2,1H3 |
| InChI Key | VUHZINYOKSZKES-UHFFFAOYSA-N |
| MDL Number | MFCD18311852 |
| Molecular Formula | C13H16BrNO3 |
| Molecular Weight | 314.1750 |
| SMILES | CCOc1cc(Br)ccc1C(=O)N1CCOCC1 |
| Synonyms | 4-Bromo-2-ethoxy-1-morpholinocarbonylbenzene,
1261911-20-9,
(4-Bromo-2-ethoxyphenyl)(morpholino)methanone,
ACMC-209b4e,
CTK4B5020,
DTXSID60681839,
ANW-18684,
MFCD18311852,
ZINC65337033,
AKOS015835531,
AJ-114970,
TR-035556,
Z9128,
B-2444,
(4-Bromo-2-ethoxyphenyl)(morpholin-4-yl)methanone,
Methanone, (4-bromo-2-ethoxyphenyl)-4-morpholinyl-,
I01-10931,
C13H16BrNO3,
4-[(4-Bromo-2-ethoxyphenyl)carbonyl]morpholine,
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| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.179g/mol |
| Monoisotopic Mass | 313.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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