| CAS Number | 2010955-47-0 |
| Catalog Number | AG00I3RB(AGN-PC-0WQZX3) |
| Chemical Name | 3-Bromo-2-(2-methoxyethoxy)phenol |
| IUPAC Name | 3-bromo-2-(2-methoxyethoxy)phenol |
| InChI | InChI=1S/C9H11BrO3/c1-12-5-6-13-9-7(10)3-2-4-8(9)11/h2-4,11H,5-6H2,1H3 |
| InChI Key | GHLBLUXGHUMCJS-UHFFFAOYSA-N |
| MDL Number | MFCD30182407 |
| Molecular Formula | C9H11BrO3 |
| Molecular Weight | 247.0858 |
| SMILES | COCCOc1c(O)cccc1Br |
| Synonyms | 3-Bromo-2-(2-methoxyethoxy)phenol,
2010955-47-0,
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| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.088g/mol |
| Monoisotopic Mass | 245.989g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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