| CAS Number | 607744-33-2 |
| Catalog Number | AG00EL82(AGN-PC-03LJWY) |
| Chemical Name | 3-(4-Bromophenyl)-1-morpholinopropan-1-one |
| IUPAC Name | 3-(4-bromophenyl)-1-morpholin-4-ylpropan-1-one |
| InChI | InChI=1S/C13H16BrNO2/c14-12-4-1-11(2-5-12)3-6-13(16)15-7-9-17-10-8-15/h1-2,4-5H,3,6-10H2 |
| InChI Key | ISGMYOJQXRNSKC-UHFFFAOYSA-N |
| MDL Number | MFCD18909259 |
| Molecular Formula | C13H16BrNO2 |
| Molecular Weight | 298.1756 |
| SMILES | Brc1ccc(CCC(=O)N2CCOCC2)cc1 |
| Synonyms | 3-(4-bromophenyl)-1-morpholinopropan-1-one,
607744-33-2,
SCHEMBL4827512,
ISGMYOJQXRNSKC-UHFFFAOYSA-N,
MFCD18909259,
ZINC96622061,
AM87092,
4-[3-(4-bromophenyl)propanoyl]morpholine,
CS-0036981,
3-(4-Bromophenyl)-1-morpholin-4-ylpropan-1-one,
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| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.18g/mol |
| Monoisotopic Mass | 297.036g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number