| CAS Number | 30565-53-8 |
| Catalog Number | AG0030KC(AGN-PC-0R5WPP) |
| Chemical Name | Ethyl 2-(4-bromophenyl)-2-hydroxyacetate |
| IUPAC Name | ethyl 2-(4-bromophenyl)-2-hydroxyacetate |
| InChI | InChI=1S/C10H11BrO3/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9,12H,2H2,1H3 |
| InChI Key | QZIWCBLMZYKXPR-UHFFFAOYSA-N |
| MDL Number | MFCD16693957 |
| Molecular Formula | C10H11BrO3 |
| Molecular Weight | 259.0965 |
| SMILES | BrC1=CC=C(C=C1)C(C(=O)OCC)O |
| Synonyms | ethyl 2-(4-bromophenyl)-2-hydroxyacetate,
30565-53-8,
SCHEMBL898279,
AKOS011496732,
ethyl (4-bromophenyl)(hydroxy)acetate,
AS-9831,
DA-07107,
FT-0727299,
Hydroxy 4-bromophenylacetic acid ethyl ester,
Benzeneacetic acid, 4-bromo-alpha-hydroxy-, ethyl ester,
CID11391266,
Ethyl 2-(4-bromophenyl)-2-hydroxy-acetate,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.099g/mol |
| Monoisotopic Mass | 257.989g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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