Ethyl 2-(2-Methoxy-6-nitrophenyl)acetate - CAS 1090514-05-8
Catalog: |
BB056065 |
Product Name: |
Ethyl 2-(2-Methoxy-6-nitrophenyl)acetate |
CAS: |
1090514-05-8 |
Synonyms: |
(2-Methoxy-6-nitro-phenyl)-acetic Acid Ethyl Ester |
IUPAC Name: | ethyl 2-(2-methoxy-6-nitrophenyl)acetate |
Description: | Ethyl 2-(2-Methoxy-6-nitrophenyl)acetate is a regent used in the preparation of pyrrole derivatives as antifungal agents. |
Molecular Weight: | 239.22 |
Molecular Formula: | C11H13NO5 |
Canonical SMILES: | CCOC(=O)CC1=C(C=CC=C1OC)[N+](=O)[O-] |
InChI: | InChI=1S/C11H13NO5/c1-3-17-11(13)7-8-9(12(14)15)5-4-6-10(8)16-2/h4-6H,3,7H2,1-2H3 |
InChI Key: | MTTAECMRWWLBBF-UHFFFAOYSA-N |
References: | Sibley, G. E. M., et al. From PCT Int. Appl. (2009), WO 2009130481 A1 20091029. |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.07937252 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.07937252 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 81.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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