| CAS Number | 1224720-05-1 |
| Catalog Number | AG00179V(AGN-PC-0C6IAS) |
| Chemical Name | (3-Bromo-4-ethoxyphenyl)methanol |
| IUPAC Name | (3-bromo-4-ethoxyphenyl)methanol |
| InChI | InChI=1S/C9H11BrO2/c1-2-12-9-4-3-7(6-11)5-8(9)10/h3-5,11H,2,6H2,1H3 |
| InChI Key | QJCLEQVUWMMZLU-UHFFFAOYSA-N |
| MDL Number | MFCD17292281 |
| Molecular Formula | C9H11BrO2 |
| Molecular Weight | 231.0864 |
| SMILES | c1(ccc(c(c1)Br)OCC)CO |
| Synonyms | 3-Bromo-4-ethoxybenzyl alcohol,
1224720-05-1,
(3-bromo-4-ethoxyphenyl)methanol,
ACMC-209akx,
SCHEMBL1390954,
CTK8A9506,
DTXSID10728703,
QJCLEQVUWMMZLU-UHFFFAOYSA-N,
ANW-17983,
MFCD17292281,
ZINC62703234,
AKOS012349952,
TC-106728,
Z8610,
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 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number