| CAS Number | 946664-38-6 |
| Catalog Number | AG01FO9C(AGN-PC-0WBVWN) |
| Chemical Name | 4-(2-Chlorophenoxy)-2-methylaniline |
| IUPAC Name | 4-(2-chlorophenoxy)-2-methylaniline |
| InChI | InChI=1S/C13H12ClNO/c1-9-8-10(6-7-12(9)15)16-13-5-3-2-4-11(13)14/h2-8H,15H2,1H3 |
| InChI Key | XFSBIDDVDYJUBI-UHFFFAOYSA-N |
| Molecular Formula | C13H12ClNO |
| Molecular Weight | 233.6935 |
| SMILES | CC1=C(C=CC(=C1)OC2=CC=CC=C2Cl)N |
| Synonyms | 4-(2-CHLOROPHENOXY)-2-METHYLANILINE,
CTK6H3451,
ZINC14630807,
AKOS005264888,
TR-046975,
946664-38-6,
Z-1282,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.695g/mol |
| Monoisotopic Mass | 233.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number