| CAS Number | 1353101-75-3 |
| Catalog Number | AG009WX8(AGN-PC-0WNRGJ) |
| Chemical Name | 2-(5-Bromo-2-hydroxymethylphenyl)ethanol |
| IUPAC Name | 2-[5-bromo-2-(hydroxymethyl)phenyl]ethanol |
| InChI | InChI=1S/C9H11BrO2/c10-9-2-1-8(6-12)7(5-9)3-4-11/h1-2,5,11-12H,3-4,6H2 |
| InChI Key | XRMJNYPZMSNEOX-UHFFFAOYSA-N |
| MDL Number | MFCD18206751 |
| Molecular Formula | C9H11BrO2 |
| Molecular Weight | 231.0864 |
| SMILES | OCCc1cc(Br)ccc1CO |
| Synonyms | 2-(5-Bromo-2-hydroxymethylphenyl)ethanol,
1353101-75-3,
2-(5-bromo-2-(hydroxymethyl)phenyl)ethanol,
ZINC71250916,
AKOS026672816,
AM20020428,
Z9908,
C9H11BrO2,
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| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.089g/mol |
| Monoisotopic Mass | 229.994g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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