| CAS Number | 100125-96-0 |
| Catalog Number | AG00010M(AGN-PC-0BT1SY) |
| Chemical Name | Ethyl 2-(3-bromo-4-methoxyphenyl)acetate |
| IUPAC Name | ethyl 2-(3-bromo-4-methoxyphenyl)acetate |
| InChI | InChI=1S/C11H13BrO3/c1-3-15-11(13)7-8-4-5-10(14-2)9(12)6-8/h4-6H,3,7H2,1-2H3 |
| InChI Key | YMZZEMPQYJBPFT-UHFFFAOYSA-N |
| MDL Number | MFCD16293389 |
| Molecular Formula | C11H13BrO3 |
| Molecular Weight | 273.1231 |
| SMILES | O=C(OCC)CC1=CC=C(OC)C(Br)=C1 |
| Synonyms | 100125-96-0,
ethyl 3-bromo-4-methoxyphenylacetate,
Ethyl 2-(3-bromo-4-methoxyphenyl)acetate,
(3-Bromo-4-methoxy-phenyl)-acetic acid ethyl ester,
Benzeneacetic acid, 3-bromo-4-methoxy-, ethyl ester,
SCHEMBL134808,
YMZZEMPQYJBPFT-UHFFFAOYSA-N,
MFCD16293389,
ZINC83229499,
AKOS017556648,
ethyl 3-bromo-4-meth-oxyphenylacetate,
ethyl(3-bromo-4-methoxyphenyl)acetate,
AS06083,
CM13660,
AS-33218,
AJ-125792,
AX8291246,
3-BROMO-4-METHOXYPHENYLACETIC ACID ETHYL ESTER,
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| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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