Methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate - CAS 4697-57-8
Catalog: |
BB059841 |
Product Name: |
Methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate |
CAS: |
4697-57-8 |
Synonyms: |
methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate; Methyl 2-bromo-4,5-dimethoxyphenylacetate; 2-BROMO-4,5-DIMETHOXY-BENZENEACETIC ACID METHYL ESTER; Methyl (2-bromo-4,5-dimethoxyphenyl)acetate |
IUPAC Name: | methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate |
Description: | Methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate |
Molecular Weight: | 289.12 |
Molecular Formula: | C11H13BrO4 |
Canonical SMILES: | COC1=C(C=C(C(=C1)CC(=O)OC)Br)OC |
InChI: | InChI=1S/C11H13BrO4/c1-14-9-4-7(5-11(13)16-3)8(12)6-10(9)15-2/h4,6H,5H2,1-3H3 |
InChI Key: | UIVBNMQTXLCVTF-UHFFFAOYSA-N |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.99972 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.99972 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 44.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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