| CAS Number | 1423032-76-1 |
| Catalog Number | AG019VMS(AGN-PC-0WO6C3) |
| Chemical Name | methyl 1-(2-chloroacetamido)cyclohexane-1-carboxylate |
| IUPAC Name | methyl 1-[(2-chloroacetyl)amino]cyclohexane-1-carboxylate |
| InChI | InChI=1S/C10H16ClNO3/c1-15-9(14)10(12-8(13)7-11)5-3-2-4-6-10/h2-7H2,1H3,(H,12,13) |
| InChI Key | APCLZSBKPHTAGP-UHFFFAOYSA-N |
| MDL Number | MFCD22421920 |
| Molecular Formula | C10H16ClNO3 |
| Molecular Weight | 233.6919 |
| SMILES | COC(C1(NC(CCl)=O)CCCCC1)=O |
| Synonyms | methyl 1-(2-chloroacetamido)cyclohexane-1-carboxylate,
1423032-76-1,
ZINC82167757,
AKOS026728147,
NE28158,
Z1562128092,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.692g/mol |
| Monoisotopic Mass | 233.082g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number