| CAS Number | 1007213-16-2 |
| Catalog Number | AG00H9B3(AGN-PC-0WRA1I) |
| Chemical Name | 4-(4-Bromo-3-chlorobenzoyl)morpholine |
| IUPAC Name | (4-bromo-3-chlorophenyl)-morpholin-4-ylmethanone |
| InChI | InChI=1S/C11H11BrClNO2/c12-9-2-1-8(7-10(9)13)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2 |
| InChI Key | DIICLOPAHPMKQS-UHFFFAOYSA-N |
| MDL Number | MFCD23497804 |
| Molecular Formula | C11H11BrClNO2 |
| Molecular Weight | 304.5675 |
| SMILES | O=C(c1ccc(c(c1)Cl)Br)N1CCOCC1 |
| Synonyms | 1007213-16-2,
4-(4-BROMO-3-CHLOROBENZOYL)MORPHOLINE,
(4-Bromo-3-chlorophenyl)(morpholino)methanone,
SCHEMBL2376773,
DIICLOPAHPMKQS-UHFFFAOYSA-N,
ZINC97756660,
AKOS019517770,
(4-bromo-3-chloro-phenyl)-morpholin-4-yl-methanone,
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| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.568g/mol |
| Monoisotopic Mass | 302.966g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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