| CAS Number | 423753-00-8 |
| Catalog Number | AG0072IQ(AGN-PC-0WB4F9) |
| Chemical Name | (E)-3-(2-Bromo-4-ethoxy-5-methoxyphenyl)acrylic acid |
| IUPAC Name | 3-(2-bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid |
| InChI | InChI=1S/C12H13BrO4/c1-3-17-11-7-9(13)8(4-5-12(14)15)6-10(11)16-2/h4-7H,3H2,1-2H3,(H,14,15) |
| InChI Key | NCTZWQDMSMBMPI-UHFFFAOYSA-N |
| MDL Number | MFCD02212599 |
| Molecular Formula | C12H13BrO4 |
| Molecular Weight | 301.1332 |
| SMILES | C1C(OCC)=C(OC)C=C(/C=C/C(O)=O)C=1Br |
| Synonyms | 423753-00-8,
3-(2-bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid,
(E)-3-(2-Bromo-4-ethoxy-5-methoxyphenyl)acrylic acid,
(2E)-3-(2-BROMO-4-ETHOXY-5-METHOXYPHENYL)ACRYLIC ACID,
AC1LGVV0,
CTK4I6131,
DTXSID20358116,
AKOS030253919,
MCULE-6251058054,
CID877655,
3-(2-bromo-4-ethoxy-5-methoxy-phenyl)prop-2-enoic Acid,
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| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.136g/mol |
| Monoisotopic Mass | 300g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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