| CAS Number | 915921-90-3 |
| Catalog Number | AG006TEG(AGN-PC-0WB54C) |
| Chemical Name | 2-Chloro-N-[1-(4-propylphenyl)ethyl]acetamide |
| IUPAC Name | 2-chloro-N-[1-(4-propylphenyl)ethyl]acetamide |
| InChI | InChI=1S/C13H18ClNO/c1-3-4-11-5-7-12(8-6-11)10(2)15-13(16)9-14/h5-8,10H,3-4,9H2,1-2H3,(H,15,16) |
| InChI Key | RJWMQYIQUROZOP-UHFFFAOYSA-N |
| MDL Number | MFCD08691984 |
| Molecular Formula | C13H18ClNO |
| Molecular Weight | 239.7411 |
| SMILES | N(C(C)C1=CC=C(C=C1)CCC)C(CCl)=O |
| Synonyms | 2-Chloro-N-[1-(4-propylphenyl)ethyl]acetamide,
915921-90-3,
2-Chloro-N-(1-(4-propylphenyl)ethyl)acetamide,
CTK5H0008,
DTXSID10672530,
CHEMBRDG-BB 9071829,
ZX-CM018366,
MFCD08691984,
AKOS022185176,
Y-4619,
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| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.743g/mol |
| Monoisotopic Mass | 239.108g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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