2-(2-Methoxyvinyl)-6-nitrobenzoic Acid Methyl Ester - CAS 846055-82-1
Catalog: |
BB060024 |
Product Name: |
2-(2-Methoxyvinyl)-6-nitrobenzoic Acid Methyl Ester |
CAS: |
846055-82-1 |
Synonyms: |
methyl 2-(2-methoxyethenyl)-6-nitrobenzoate; 2-(2-Methoxyvinyl)-6-nitrobenzoic Acid Methyl Ester; 2-(2-methoxy-vinyl)-6-nitro-benzoic acid methyl ester |
IUPAC Name: | methyl 2-(2-methoxyethenyl)-6-nitrobenzoate |
Description: | 2-(2-Methoxyvinyl)-6-nitrobenzoic Acid Methyl Ester is an intermediate in the synthesis of Ropinirole (R641000), an antiparkinsonian agent. |
Molecular Weight: | 237.21 |
Molecular Formula: | C11H11NO5 |
Canonical SMILES: | COC=CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC |
InChI: | InChI=1S/C11H11NO5/c1-16-7-6-8-4-3-5-9(12(14)15)10(8)11(13)17-2/h3-7H,1-2H3 |
InChI Key: | JVHIZFOEWLXRJA-UHFFFAOYSA-N |
Solubility: | DCM, Methanol |
Appearance: | Brown Oil |
Complexity: | 310 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.06372245 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.06372245 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 81.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 2 |
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