| CAS Number | 1040079-49-9 |
| Catalog Number | AG019KPK |
| Chemical Name | 2-chloro-N-(2-chloro-4-methylphenyl)propanamide |
| IUPAC Name | 2-chloro-N-(2-chloro-4-methylphenyl)propanamide |
| InChI | InChI=1S/C10H11Cl2NO/c1-6-3-4-9(8(12)5-6)13-10(14)7(2)11/h3-5,7H,1-2H3,(H,13,14) |
| InChI Key | IRMCANJRUCPJSF-UHFFFAOYSA-N |
| MDL Number | MFCD11183593 |
| Molecular Formula | C10H11Cl2NO |
| Molecular Weight | 232.1064 |
| SMILES | CC(C(NC1=C(Cl)C=C(C)C=C1)=O)Cl |
| Synonyms | 2-chloro-N-(2-chloro-4-methylphenyl)propanamide,
1040079-49-9,
AKOS009128753,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.104g/mol |
| Monoisotopic Mass | 231.022g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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