| CAS Number | 926256-91-9 |
| Catalog Number | AG019WSO |
| Chemical Name | 5-amino-2-chloro-N-(2-methylpropyl)benzamide |
| IUPAC Name | 5-amino-2-chloro-N-(2-methylpropyl)benzamide |
| InChI | InChI=1S/C11H15ClN2O/c1-7(2)6-14-11(15)9-5-8(13)3-4-10(9)12/h3-5,7H,6,13H2,1-2H3,(H,14,15) |
| InChI Key | BBJSEBCVTSKMQQ-UHFFFAOYSA-N |
| MDL Number | MFCD09045966 |
| Molecular Formula | C11H15ClN2O |
| Molecular Weight | 226.7026 |
| SMILES | CC(CNC(C1=C(Cl)C=CC(N)=C1)=O)C |
| Synonyms | 5-amino-2-chloro-N-(2-methylpropyl)benzamide,
926256-91-9,
AC1Q1PNM,
CTK6A8540,
ZINC20193961,
AKOS000130016,
MCULE-2535870302,
NE53744,
EN300-53045,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.704g/mol |
| Monoisotopic Mass | 226.087g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number