| CAS Number | 61203-54-1 |
| Catalog Number | AG01EL7V(AGN-PC-0JDWAA) |
| Chemical Name | 4-bromo-2,6-dimethoxybenzoic acid |
| IUPAC Name | 4-bromo-2,6-dimethoxybenzoic acid |
| InChI | InChI=1S/C9H9BrO4/c1-13-6-3-5(10)4-7(14-2)8(6)9(11)12/h3-4H,1-2H3,(H,11,12) |
| InChI Key | SGXLLIOGWIOYDZ-UHFFFAOYSA-N |
| MDL Number | MFCD31665097 |
| Molecular Formula | C9H9BrO4 |
| Molecular Weight | 261.0694 |
| SMILES | BrC1=CC(=C(C(=O)O)C(=C1)OC)OC |
| Synonyms | 4-Bromo-2,6-dimethoxybenzoic acid,
61203-54-1,
SCHEMBL20564431,
CTK2E4984,
DTXSID00819735,
ZINC206505695,
Benzoic acid, 4-bromo-2,6-dimethoxy-,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.071g/mol |
| Monoisotopic Mass | 259.968g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number