| CAS Number | 90919-81-6 |
| Catalog Number | AG019PDR |
| Chemical Name | 2-chloro-N-[(4-chlorophenyl)methyl]propanamide |
| IUPAC Name | 2-chloro-N-[(4-chlorophenyl)methyl]propanamide |
| InChI | InChI=1S/C10H11Cl2NO/c1-7(11)10(14)13-6-8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,13,14) |
| InChI Key | MXIKGEWWJHHSHX-UHFFFAOYSA-N |
| MDL Number | MFCD09040361 |
| Molecular Formula | C10H11Cl2NO |
| Molecular Weight | 232.1064 |
| SMILES | CC(C(NCC1=CC=C(Cl)C=C1)=O)Cl |
| Synonyms | 2-chloro-N-[(4-chlorophenyl)methyl]propanamide,
2-chloro-N-(4-chlorobenzyl)propanamide,
90919-81-6,
AC1Q2AYN,
CTK7F4372,
AKOS009075712,
MCULE-3436030569,
NE18192,
EN300-23314,
|
| Complexity | 191 |
| 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 | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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