| CAS Number | 18111-34-7 |
| Catalog Number | AG01C4VU(AGN-PC-003N6Z) |
| Chemical Name | 3-Bromo-2,6-dimethoxyphenol |
| IUPAC Name | 3-bromo-2,6-dimethoxyphenol |
| InChI | InChI=1S/C8H9BrO3/c1-11-6-4-3-5(9)8(12-2)7(6)10/h3-4,10H,1-2H3 |
| InChI Key | XXFKACCLBKXQDX-UHFFFAOYSA-N |
| MDL Number | MFCD28976907 |
| Molecular Formula | C8H9BrO3 |
| Molecular Weight | 233.0593 |
| SMILES | COC1=C(O)C(OC)=C(Br)C=C1 |
| Synonyms | 3-bromo-2,6-dimethoxyphenol,
18111-34-7,
3-bromo-2,6-dimethoxy-phenol,
SCHEMBL2583686,
XXFKACCLBKXQDX-UHFFFAOYSA-N,
MFCD28976907,
AKOS034141637,
|
| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.061g/mol |
| Monoisotopic Mass | 231.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number