| CAS Number | 1098347-61-5 |
| Catalog Number | AG019KQL |
| Chemical Name | 2-chloro-N-[(2-methylphenyl)methyl]propanamide |
| IUPAC Name | 2-chloro-N-[(2-methylphenyl)methyl]propanamide |
| InChI | InChI=1S/C11H14ClNO/c1-8-5-3-4-6-10(8)7-13-11(14)9(2)12/h3-6,9H,7H2,1-2H3,(H,13,14) |
| InChI Key | FDPIBKCVWXAKHK-UHFFFAOYSA-N |
| MDL Number | MFCD11643903 |
| Molecular Formula | C11H14ClNO |
| Molecular Weight | 211.6880 |
| SMILES | CC(C(NCC1=C(C)C=CC=C1)=O)Cl |
| Synonyms | 2-chloro-N-[(2-methylphenyl)methyl]propanamide,
1098347-61-5,
CTK7F4374,
AKOS009128892,
NE38771,
EN300-28032,
AC1Q2AYJ,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.076392g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.69g/mol |
| Monoisotopic Mass | 211.076392g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number