| CAS Number | 1393441-92-3 |
| Catalog Number | AG009WZF(AGN-PC-0WA9SO) |
| Chemical Name | 4-[(4-Bromo-2-methoxyphenyl)carbonyl]morpholine |
| IUPAC Name | (4-bromo-2-methoxyphenyl)-morpholin-4-ylmethanone |
| InChI | InChI=1S/C12H14BrNO3/c1-16-11-8-9(13)2-3-10(11)12(15)14-4-6-17-7-5-14/h2-3,8H,4-7H2,1H3 |
| InChI Key | WYULHNKYMRZEOS-UHFFFAOYSA-N |
| MDL Number | MFCD22383677 |
| Molecular Formula | C12H14BrNO3 |
| Molecular Weight | 300.1485 |
| SMILES | COc1cc(Br)ccc1C(=O)N1CCOCC1 |
| Synonyms | 4-[(4-Bromo-2-methoxyphenyl)carbonyl]morpholine,
1393441-92-3,
(4-Bromo-2-methoxyphenyl)(morpholin-4-yl)methanone,
SCHEMBL15285967,
WYULHNKYMRZEOS-UHFFFAOYSA-N,
ZINC95495533,
AKOS017469192,
(4-bromo-2-methoxyphenyl)(morpholino)methanone,
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| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.152g/mol |
| Monoisotopic Mass | 299.016g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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