| CAS Number | 139553-46-1 |
| Catalog Number | AG003APK(AGN-PC-0O1V3O) |
| Chemical Name | 4-Bromo-2-methyl-1,3-benzenediol |
| IUPAC Name | 4-bromo-2-methylbenzene-1,3-diol |
| InChI | InChI=1S/C7H7BrO2/c1-4-6(9)3-2-5(8)7(4)10/h2-3,9-10H,1H3 |
| InChI Key | ZDFHPMDMEQBVHZ-UHFFFAOYSA-N |
| MDL Number | MFCD24718464 |
| Molecular Formula | C7H7BrO2 |
| Molecular Weight | 203.0333 |
| SMILES | BrC1=C(C(=C(C=C1)O)C)O |
| Synonyms | 139553-46-1,
4-Bromo-2-methyl-1,3-benzenediol,
4-bromo-2-methylbenzene-1,3-diol,
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| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.035g/mol |
| Monoisotopic Mass | 201.963g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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