| CAS Number | 1049784-98-6 |
| Catalog Number | AG008U7O(AGN-PC-0WR4FI) |
| Chemical Name | 5-Chloro-2-(4-chloro-2,6-dimethylphenoxy)aniline hydrochloride |
| IUPAC Name | 5-chloro-2-(4-chloro-2,6-dimethylphenoxy)aniline;hydrochloride |
| InChI | InChI=1S/C14H13Cl2NO.ClH/c1-8-5-11(16)6-9(2)14(8)18-13-4-3-10(15)7-12(13)17;/h3-7H,17H2,1-2H3;1H |
| InChI Key | FPSBSVIZCVNKAN-UHFFFAOYSA-N |
| MDL Number | MFCD08447204 |
| Molecular Formula | C14H14Cl3NO |
| Molecular Weight | 318.6261 |
| SMILES | NC1=CC(Cl)=CC=C1OC2=C(C)C=C(Cl)C=C2C.[H]Cl |
| Synonyms | 5-chloro-2-(4-chloro-2,6-dimethylphenoxy)aniline hydrochloride,
1049784-98-6,
AC1Q39F4,
CTK6G6352,
MFCD08447204,
AKOS027427050,
MCULE-4879113530,
NE13922,
EN300-08905,
J-517274,
Z56985197,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.622g/mol |
| Monoisotopic Mass | 317.014g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number