| CAS Number | 1249464-76-3 |
| Catalog Number | AG01B126 |
| Chemical Name | 5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline |
| IUPAC Name | 5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline |
| InChI | InChI=1S/C11H16ClNO/c1-8-4-5-10(12)6-11(8)13-9(2)7-14-3/h4-6,9,13H,7H2,1-3H3 |
| InChI Key | CJZJHKSPEXMXEI-UHFFFAOYSA-N |
| MDL Number | MFCD16787416 |
| Molecular Formula | C11H16ClNO |
| Molecular Weight | 213.7038 |
| SMILES | COCC(NC1=C(C)C=CC(Cl)=C1)C |
| Synonyms | 5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline,
1249464-76-3,
AKOS011824344,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.705g/mol |
| Monoisotopic Mass | 213.092g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number