| CAS Number | 78194-02-2 |
| Catalog Number | AG01DK2V(AGN-PC-0UD3WV) |
| Chemical Name | 2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]-N-(propoxymethyl)acetamide |
| IUPAC Name | 2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]-N-(propoxymethyl)acetamide |
| InChI | InChI=1S/C17H26ClNO3/c1-5-9-21-12-19(16(20)10-18)17-14(4)7-6-8-15(17)22-11-13(2)3/h6-8,13H,5,9-12H2,1-4H3 |
| InChI Key | KBDPMAIYQDDLRP-UHFFFAOYSA-N |
| MDL Number | MFCD31803335 |
| Molecular Formula | C17H26ClNO3 |
| Molecular Weight | 327.8462 |
| SMILES | CCCOCN(C(=O)CCl)c1c(C)cccc1OCC(C)C |
| Synonyms | 78194-02-2,
SCHEMBL9292921,
AS-72129,
2-chloro-N-(2-isobutoxy-6-methylphenyl)-N-(propoxymethyl)acetamide,
2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]-N-(propoxymethyl)acetamide,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.160121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.8g/mol |
| Monoisotopic Mass | 327.160121g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 38.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
Lot Number