2-Bromo-3,5-dimethoxybenzoic Acid - CAS 17275-86-4
Catalog: |
BB055465 |
Product Name: |
2-Bromo-3,5-dimethoxybenzoic Acid |
CAS: |
17275-86-4 |
Synonyms: |
2-bromo-3,5-dimethoxybenzoic acid |
IUPAC Name: | 2-bromo-3,5-dimethoxybenzoic acid |
Molecular Weight: | 261.07 |
Molecular Formula: | C9H9BrO4 |
Canonical SMILES: | COC1=CC(=C(C(=C1)OC)Br)C(=O)O |
InChI: | InChI=1S/C9H9BrO4/c1-13-5-3-6(9(11)12)8(10)7(4-5)14-2/h3-4H,1-2H3,(H,11,12) |
InChI Key: | WZYHIVYNECVLKT-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: | 2.1 |
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