| CAS Number | 896871-84-4 |
| Catalog Number | AG00IFSP(AGN-PC-0WOK0V) |
| Chemical Name | 4-[4-(Chloromethyl)benzoyl]morpholine |
| IUPAC Name | [4-(chloromethyl)phenyl]-morpholin-4-ylmethanone |
| InChI | InChI=1S/C12H14ClNO2/c13-9-10-1-3-11(4-2-10)12(15)14-5-7-16-8-6-14/h1-4H,5-9H2 |
| InChI Key | JBSJBFLZETVSQI-UHFFFAOYSA-N |
| MDL Number | MFCD02826504 |
| Molecular Formula | C12H14ClNO2 |
| Molecular Weight | 239.6981 |
| SMILES | ClCc1ccc(cc1)C(=O)N1CCOCC1 |
| Synonyms | 4-[4-(chloromethyl)benzoyl]morpholine,
896871-84-4,
SCHEMBL3405905,
JBSJBFLZETVSQI-UHFFFAOYSA-N,
ALBB-032360,
KM2859,
ZINC36929909,
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| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.699g/mol |
| Monoisotopic Mass | 239.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number