1,5-Dichloro-2-methoxy-4-(4-nitrophenoxy)benzene - CAS 125138-49-0
Catalog: |
BB062836 |
Product Name: |
1,5-Dichloro-2-methoxy-4-(4-nitrophenoxy)benzene |
CAS: |
125138-49-0 |
Synonyms: |
1,5-Dichloro-2-methoxy-4-(4-nitrophenoxy)benzene |
IUPAC Name: | 1,5-dichloro-2-methoxy-4-(4-nitrophenoxy)benzene |
Description: | 1,5-Dichloro-2-methoxy-4-(4-nitrophenoxy)benzene, is used for the synthesis of three major ring-hydroxylated metabolites of Diclofop-methyl, acting as herbicide. |
Molecular Weight: | 314.12 |
Molecular Formula: | C13H9Cl2NO4 |
Canonical SMILES: | COC1=CC(=C(C=C1Cl)Cl)OC2=CC=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C13H9Cl2NO4/c1-19-12-7-13(11(15)6-10(12)14)20-9-4-2-8(3-5-9)16(17)18/h2-7H,1H3 |
InChI Key: | MVFSOMFASDJKKD-UHFFFAOYSA-N |
Solubility: | Methanol, Ethyl Acetate, DCM |
References: | Tanaka, F. S., et al. J. Agri. Food Chem., 38, 553 (1990). |
Complexity: | 331 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 312.9908632 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 312.9908632 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 64.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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