Methyl 5-bromo-2,3-dimethoxybenzoate - CAS 83131-08-2
Catalog: |
BB059845 |
Product Name: |
Methyl 5-bromo-2,3-dimethoxybenzoate |
CAS: |
83131-08-2 |
Synonyms: |
Methyl 5-bromo-2,3-dimethoxybenzoate; Methyl5-bromo-2,3-dimethoxybenzoate |
IUPAC Name: | methyl 5-bromo-2,3-dimethoxybenzoate |
Description: | Methyl 5-bromo-2,3-dimethoxybenzoate |
Molecular Weight: | 275.1 |
Molecular Formula: | C10H11BrO4 |
Canonical SMILES: | COC1=CC(=CC(=C1OC)C(=O)OC)Br |
InChI: | InChI=1S/C10H11BrO4/c1-13-8-5-6(11)4-7(9(8)14-2)10(12)15-3/h4-5H,1-3H3 |
InChI Key: | HNLKQPLNPYMCAO-UHFFFAOYSA-N |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 273.98407 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 273.98407 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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