| CAS Number | 2089319-35-5 |
| Catalog Number | AG01FS3S(AGN-PC-3H5PP0) |
| Chemical Name | Methyl 4-bromo-2-hydroxy-6-methylbenzoate |
| IUPAC Name | methyl 4-bromo-2-hydroxy-6-methylbenzoate |
| InChI | InChI=1S/C9H9BrO3/c1-5-3-6(10)4-7(11)8(5)9(12)13-2/h3-4,11H,1-2H3 |
| InChI Key | XDUVTEPRZKJOLV-UHFFFAOYSA-N |
| MDL Number | MFCD30528900 |
| Molecular Formula | C9H9BrO3 |
| Molecular Weight | 245.0700 |
| SMILES | BrC1=CC(=C(C(=O)OC)C(=C1)C)O |
| Synonyms | Methyl 4-bromo-2-hydroxy-6-methylbenzoate,
2089319-35-5,
SCHEMBL20561796,
ZINC575625097,
AK674093,
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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 | 243.97351g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.07g/mol |
| Monoisotopic Mass | 243.97351g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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