| CAS Number | 51699-41-3 |
| Catalog Number | AG01AIYO(AGN-PC-0SB236) |
| Chemical Name | Ethyl 3-(3-bromophenyl)-3-hydroxypropanoate |
| IUPAC Name | ethyl 3-(3-bromophenyl)-3-hydroxypropanoate |
| InChI | InChI=1S/C11H13BrO3/c1-2-15-11(14)7-10(13)8-4-3-5-9(12)6-8/h3-6,10,13H,2,7H2,1H3 |
| InChI Key | UTXUUSOFNXTNOK-UHFFFAOYSA-N |
| MDL Number | MFCD16749037 |
| Molecular Formula | C11H13BrO3 |
| Molecular Weight | 273.1231 |
| SMILES | c1(cccc(c1)C(CC(=O)OCC)O)Br |
| Synonyms | ethyl 3-(3-bromophenyl)-3-hydroxypropanoate,
51699-41-3,
SCHEMBL8770972,
AKOS008151897,
MCULE-9115738615,
NE17867,
EN300-79363,
ethyl 3-hydroxy-3-(3-bromophenyl)-propanoate,
beta-Hydroxy-3-bromobenzenepropanoic acid ethyl ester,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.126g/mol |
| Monoisotopic Mass | 272.005g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number