| CAS Number | 89691-60-1 |
| Catalog Number | AG01A4QY(AGN-PC-0VPF91) |
| Chemical Name | 1-(2-bromo-4-methoxyphenyl)ethanol |
| IUPAC Name | 1-(2-bromo-4-methoxyphenyl)ethanol |
| InChI | InChI=1S/C9H11BrO2/c1-6(11)8-4-3-7(12-2)5-9(8)10/h3-6,11H,1-2H3 |
| InChI Key | UJSSRKRHXCIJRN-UHFFFAOYSA-N |
| MDL Number | MFCD12788234 |
| Molecular Formula | C9H11BrO2 |
| Molecular Weight | 231.0864 |
| SMILES | COC1=CC(Br)=C(C(O)C)C=C1 |
| Synonyms | 1-(2-bromo-4-methoxyphenyl)ethan-1-ol,
89691-60-1,
1232403-71-2,
1432670-74-0,
1-(2-BRomo-4-methoxyphenyl)ethanol,
NE34263,
1-(2-bromo-4-methoxy-phenyl)ethanol,
CID9856044,
(1R)-1-(2-bromo-4-methoxyphenyl)ethan-1-ol,
(1S)-1-(2-bromo-4-methoxyphenyl)ethan-1-ol,
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| Complexity | 141 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.089g/mol |
| Monoisotopic Mass | 229.994g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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