| CAS Number | 70654-71-6 |
| Catalog Number | AG00FG85(AGN-PC-002RA5) |
| Chemical Name | 4-Bromo-2,6-dimethoxyphenol |
| IUPAC Name | 4-bromo-2,6-dimethoxyphenol |
| InChI | InChI=1S/C8H9BrO3/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4,10H,1-2H3 |
| InChI Key | VKXCKVRDDDEQOG-UHFFFAOYSA-N |
| MDL Number | MFCD18483099 |
| Molecular Formula | C8H9BrO3 |
| Molecular Weight | 233.0593 |
| SMILES | COc1cc(Br)cc(c1O)OC |
| Synonyms | 4-bromo-2,6-dimethoxyphenol,
70654-71-6,
4-bromo-2,6-dimethoxy-phenol,
2,6-dimethoxy-4-bromophenol,
SCHEMBL1879373,
VKXCKVRDDDEQOG-UHFFFAOYSA-N,
MFCD18483099,
ZINC34383297,
AKOS016344231,
MCULE-1490768375,
NE18541,
BB 0259541,
FT-0699535,
Z1511514270,
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| Complexity | 128 |
| 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 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number