| CAS Number | 1261570-38-0 |
| Catalog Number | AG00HJ01(AGN-PC-0WR2T7) |
| Chemical Name | Ethyl 2-(4-bromo-2-methoxyphenyl)acetate |
| IUPAC Name | ethyl 2-(4-bromo-2-methoxyphenyl)acetate |
| InChI | InChI=1S/C11H13BrO3/c1-3-15-11(13)6-8-4-5-9(12)7-10(8)14-2/h4-5,7H,3,6H2,1-2H3 |
| InChI Key | IWVGLLSTNDUJDY-UHFFFAOYSA-N |
| MDL Number | MFCD18395960 |
| Molecular Formula | C11H13BrO3 |
| Molecular Weight | 273.1231 |
| SMILES | CCOC(=O)Cc1ccc(cc1OC)Br |
| Synonyms | Ethyl 2-(4-bromo-2-methoxyphenyl)acetate,
1261570-38-0,
SCHEMBL15300735,
IWVGLLSTNDUJDY-UHFFFAOYSA-N,
Ethyl 4-bromo-2-methoxyphenylacetate,
ZINC216015895,
FT-0738319,
Benzeneacetic acid, 4-bromo-2-methoxy-, 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.126g/mol |
| Monoisotopic Mass | 272.005g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number