| CAS Number | 1334146-96-1 |
| Catalog Number | AG01AITT |
| Chemical Name | methyl 2-(5-amino-4-chloro-2-methylphenoxy)acetate |
| IUPAC Name | methyl 2-(5-amino-4-chloro-2-methylphenoxy)acetate |
| InChI | InChI=1S/C10H12ClNO3/c1-6-3-7(11)8(12)4-9(6)15-5-10(13)14-2/h3-4H,5,12H2,1-2H3 |
| InChI Key | VOVXYPRNCCAWSV-UHFFFAOYSA-N |
| MDL Number | MFCD19686234 |
| Molecular Formula | C10H12ClNO3 |
| Molecular Weight | 229.6602 |
| SMILES | COC(COC1=C(C)C=C(Cl)C(N)=C1)=O |
| Synonyms | methyl 2-(5-amino-4-chloro-2-methylphenoxy)acetate,
1334146-96-1,
ZINC68593335,
NE56881,
EN300-78992,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.66g/mol |
| Monoisotopic Mass | 229.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Lot Number