| CAS Number | 1339771-70-8 |
| Catalog Number | AG01DTAY |
| Chemical Name | N-(2-chloroethyl)oxane-4-carboxamide |
| IUPAC Name | N-(2-chloroethyl)oxane-4-carboxamide |
| InChI | InChI=1S/C8H14ClNO2/c9-3-4-10-8(11)7-1-5-12-6-2-7/h7H,1-6H2,(H,10,11) |
| InChI Key | DJNZYAAPFABAGO-UHFFFAOYSA-N |
| MDL Number | MFCD17243901 |
| Molecular Formula | C8H14ClNO2 |
| Molecular Weight | 191.6553 |
| SMILES | ClCCNC(C1CCOCC1)=O |
| Synonyms | N-(2-chloroethyl)oxane-4-carboxamide,
1339771-70-8,
AKOS012202576,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.655g/mol |
| Monoisotopic Mass | 191.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number