Methyl 5-bromo-2-hydroxy-3-methoxybenzoate - CAS 134419-43-5
Catalog: |
BB059816 |
Product Name: |
Methyl 5-bromo-2-hydroxy-3-methoxybenzoate |
CAS: |
134419-43-5 |
Synonyms: |
Methyl 5-bromo-2-hydroxy-3-methoxybenzoate; Methyl 2-Hydroxy-3-methoxy-5-bromobenzoate; Benzoic acid, 5-bromo-2-hydroxy-3-methoxy-, methyl ester; Methyl5-bromo-2-hydroxy-3-methoxybenzoate |
IUPAC Name: | methyl 5-bromo-2-hydroxy-3-methoxybenzoate |
Description: | Methyl 5-bromo-2-hydroxy-3-methoxybenzoate |
Molecular Weight: | 261.07 |
Molecular Formula: | C9H9BrO4 |
Canonical SMILES: | COC1=CC(=CC(=C1O)C(=O)OC)Br |
InChI: | InChI=1S/C9H9BrO4/c1-13-7-4-5(10)3-6(8(7)11)9(12)14-2/h3-4,11H,1-2H3 |
InChI Key: | CWMGOQPZJWFRFT-UHFFFAOYSA-N |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.96842 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.96842 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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