| CAS Number | 19626-36-9 |
| Catalog Number | AG00ARZR(AGN-PC-0NK0H1) |
| Chemical Name | 3-Bromo-4-methoxyphenylacetic acid methyl ester |
| IUPAC Name | methyl 2-(3-bromo-4-methoxyphenyl)acetate |
| InChI | InChI=1S/C10H11BrO3/c1-13-9-4-3-7(5-8(9)11)6-10(12)14-2/h3-5H,6H2,1-2H3 |
| InChI Key | SJYUPYFKRKUSLL-UHFFFAOYSA-N |
| MDL Number | MFCD16293390 |
| Molecular Formula | C10H11BrO3 |
| Molecular Weight | 259.0965 |
| SMILES | BrC=1C=C(C=CC1OC)CC(=O)OC |
| Synonyms | 19626-36-9,
methyl 2-(3-bromo-4-methoxyphenyl)acetate,
3-Bromo-4-methoxyphenylacetic acid methyl ester,
SCHEMBL136681,
SJYUPYFKRKUSLL-UHFFFAOYSA-N,
ZINC13379647,
AKOS017556728,
methyl 3-bromo-4-methoxy-phenylacetate,
methyl(3-bromo-4-methoxyphenyl)acetate,
Methyl 3-Bromo-4-Methoxyphenylethanoate,
DA-08610,
FT-0769000,
(3-bromo-4-methoxy-phenyl)-acetic Acid Methyl Ester,
Benzeneacetic acid, 3-bromo-4-methoxy-, methyl ester,
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| Complexity | 196 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.099g/mol |
| Monoisotopic Mass | 257.989g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number