| CAS Number | 157245-84-6 |
| Catalog Number | AG01FEHQ(AGN-PC-03OV46) |
| Chemical Name | Ethyl 4-(3-bromophenoxy)butanoate |
| IUPAC Name | ethyl 4-(3-bromophenoxy)butanoate |
| InChI | InChI=1S/C12H15BrO3/c1-2-15-12(14)7-4-8-16-11-6-3-5-10(13)9-11/h3,5-6,9H,2,4,7-8H2,1H3 |
| InChI Key | SUJPEDFHTBQFKC-UHFFFAOYSA-N |
| MDL Number | MFCD20483435 |
| Molecular Formula | C12H15BrO3 |
| Molecular Weight | 287.1497 |
| SMILES | CCOC(=O)CCCOc1cccc(c1)Br |
| Synonyms | Ethyl 4-(3-bromophenoxy)butanoate,
157245-84-6,
SCHEMBL987722,
ethyl 4-(3-bromophenoxy)butyrate,
SUJPEDFHTBQFKC-UHFFFAOYSA-N,
ethyl 4-(3-bromophenoxyl)butanoate,
ZINC98214282,
DA-43945,
FT-0737884,
4-(3-bromo-phenoxy)-butyric acid ethyl ester,
Butanoic acid, 4-(3-bromophenoxy)-, ethyl ester,
A1-11730,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.153g/mol |
| Monoisotopic Mass | 286.02g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number