4-(2,4-Dichloro-5-methoxyphenoxy)aniline - CAS 125138-50-3
Catalog: |
BB062831 |
Product Name: |
4-(2,4-Dichloro-5-methoxyphenoxy)aniline |
CAS: |
125138-50-3 |
Synonyms: |
4-(2,4-Dichloro-5-methoxyphenoxy)benzenamine |
IUPAC Name: | 4-(2,4-dichloro-5-methoxyphenoxy)aniline |
Description: | 4-(2,4-Dichloro-5-methoxyphenoxy)aniline is an intermediate formed in the synthesis of 2-[4-(2,4-Dichloro-5-hydroxyphenoxy)phenoxy]propanoic Acid Methyl Ester (D434675), the metabolite of Diclofop-methyl, used as a herbicide. |
Molecular Weight: | 284.14 |
Molecular Formula: | C13H11Cl2NO2 |
Canonical SMILES: | COC1=CC(=C(C=C1Cl)Cl)OC2=CC=C(C=C2)N |
InChI: | InChI=1S/C13H11Cl2NO2/c1-17-12-7-13(11(15)6-10(12)14)18-9-4-2-8(16)3-5-9/h2-7H,16H2,1H3 |
InChI Key: | YFZJGOSUXAYGIV-UHFFFAOYSA-N |
Solubility: | DCM, Ethyl Acetate, Methanol |
Storage: | -20°C Freezer |
References: | Tanaka, F. S., et al. J. Agri. Food Chem., 38, 553 (1990). |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.016684 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.016684 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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