| CAS Number | 339048-81-6 |
| Catalog Number | AG01EHXD(AGN-PC-0NB71G) |
| Chemical Name | methyl 3-(4-bromophenyl)-2-hydroxypropanoate |
| IUPAC Name | methyl 3-(4-bromophenyl)-2-hydroxypropanoate |
| InChI | InChI=1S/C10H11BrO3/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9,12H,6H2,1H3 |
| InChI Key | YLFPGWXTPDLRMM-UHFFFAOYSA-N |
| MDL Number | MFCD11924328 |
| Molecular Formula | C10H11BrO3 |
| Molecular Weight | 259.0965 |
| SMILES | BrC1=CC=C(C=C1)CC(C(=O)OC)O |
| Synonyms | SCHEMBL1749707,
AKOS015149919,
methyl 3-(4-bromophenyl)-2-hydroxypropanoate,
2-Hydroxy-3-(4-bromophenyl)propanoic acid methyl ester,
339048-81-6,
CID10825150,
Methyl 3-(4-bromophenyl)-2-hydroxy-propanoate,
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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 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number