| CAS Number | 50848-60-7 |
| Catalog Number | AG00I945(AGN-PC-0NH9J5) |
| Chemical Name | 2-bromo-6-methylbenzene-1,4-diol |
| IUPAC Name | 2-bromo-6-methylbenzene-1,4-diol |
| InChI | InChI=1S/C7H7BrO2/c1-4-2-5(9)3-6(8)7(4)10/h2-3,9-10H,1H3 |
| InChI Key | KMACURGSVMIRPL-UHFFFAOYSA-N |
| MDL Number | MFCD18448562 |
| Molecular Formula | C7H7BrO2 |
| Molecular Weight | 203.0333 |
| SMILES | Oc1cc(C)c(c(c1)Br)O |
| Synonyms | 2-bromo-6-methylbenzene-1,4-diol,
50848-60-7,
1,4-Benzenediol, 2-bromo-6-methyl-,
2-bromo-6-methylhydroquinone,
SCHEMBL17659001,
CTK1G5953,
DTXSID30457947,
ZINC38339039,
2-bromo-6-methyl-benzene-1,4-diol,
CID11183295,
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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 | 1.4 |
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Certificate of Analysis
Lot Number