| CAS Number | 1094300-44-3 |
| Catalog Number | AG00HBHA(AGN-PC-0WRA1R) |
| Chemical Name | 4-[3-(Chloromethyl)phenyl]carbonylmorpholine |
| IUPAC Name | [3-(chloromethyl)phenyl]-morpholin-4-ylmethanone |
| InChI | InChI=1S/C12H14ClNO2/c13-9-10-2-1-3-11(8-10)12(15)14-4-6-16-7-5-14/h1-3,8H,4-7,9H2 |
| InChI Key | GHWUAUHNOZGWQG-UHFFFAOYSA-N |
| MDL Number | MFCD11208347 |
| Molecular Formula | C12H14ClNO2 |
| Molecular Weight | 239.6981 |
| SMILES | ClCc1cccc(c1)C(=O)N1CCOCC1 |
| Synonyms | 1094300-44-3,
4-[3-(Chloromethyl)phenyl]carbonylmorpholine,
(3-(Chloromethyl)phenyl)(morpholino)methanone,
SCHEMBL17078828,
ZINC34417320,
AKOS009333900,
CID10728714,
[3-(chloromethyl)phenyl]-morpholin-4-yl-methanone,
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| Complexity | 241 |
| 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