| CAS Number | 1548231-39-5 |
| Catalog Number | AG01B296 |
| Chemical Name | methyl 3-[(3-bromophenyl)methoxy]propanoate |
| IUPAC Name | methyl 3-[(3-bromophenyl)methoxy]propanoate |
| InChI | InChI=1S/C11H13BrO3/c1-14-11(13)5-6-15-8-9-3-2-4-10(12)7-9/h2-4,7H,5-6,8H2,1H3 |
| InChI Key | LSSNCPKCYILMBX-UHFFFAOYSA-N |
| MDL Number | MFCD24310791 |
| Molecular Formula | C11H13BrO3 |
| Molecular Weight | 273.1231 |
| SMILES | COC(CCOCC1=CC(Br)=CC=C1)=O |
| Synonyms | methyl 3-[(3-bromophenyl)methoxy]propanoate,
1548231-39-5,
AKOS021146061,
ZINC147467250,
Z2471262666,
|
| Complexity | 196 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.126g/mol |
| Monoisotopic Mass | 272.005g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number