| CAS Number | 149489-18-9 |
| Catalog Number | AG001LQP(AGN-PC-04Q0A9) |
| Chemical Name | 5-Bromo-2-ethoxybenzyl alcohol |
| IUPAC Name | (5-bromo-2-ethoxyphenyl)methanol |
| InChI | InChI=1S/C9H11BrO2/c1-2-12-9-4-3-8(10)5-7(9)6-11/h3-5,11H,2,6H2,1H3 |
| InChI Key | RXDFHFNUPUWTRV-UHFFFAOYSA-N |
| MDL Number | MFCD06202636 |
| Molecular Formula | C9H11BrO2 |
| Molecular Weight | 231.0864 |
| SMILES | CCOc1ccc(cc1CO)Br |
| Synonyms | 5-Bromo-2-ethoxybenzyl alcohol,
149489-18-9,
Benzenemethanol, 5-bromo-2-ethoxy-,
(5-Bromo-2-ethoxyphenyl)methanol,
ACMC-209d2n,
SCHEMBL6410232,
CTK0E8705,
DTXSID80641071,
RXDFHFNUPUWTRV-UHFFFAOYSA-N,
ANW-21213,
MFCD06202636,
ZINC20363190,
AKOS009131662,
TC-109958,
V3425,
K-4751,
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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.089g/mol |
| Monoisotopic Mass | 229.994g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number