| CAS Number | 423747-21-1 |
| Catalog Number | AG00C5UE(AGN-PC-0WB4ET) |
| Chemical Name | (2E)-3-(2-Bromo-5-ethoxy-4-methoxyphenyl)acrylic acid |
| IUPAC Name | 3-(2-bromo-5-ethoxy-4-methoxyphenyl)prop-2-enoic acid |
| InChI | InChI=1S/C12H13BrO4/c1-3-17-11-6-8(4-5-12(14)15)9(13)7-10(11)16-2/h4-7H,3H2,1-2H3,(H,14,15) |
| InChI Key | ODEMKAOVDNZVQG-UHFFFAOYSA-N |
| MDL Number | MFCD02213004 |
| Molecular Formula | C12H13BrO4 |
| Molecular Weight | 301.1332 |
| SMILES | C1C(OC)=C(OCC)C=C(/C=C/C(O)=O)C=1Br |
| Synonyms | 423747-21-1,
3-(2-bromo-5-ethoxy-4-methoxyphenyl)prop-2-enoic acid,
(E)-3-(2-Bromo-5-ethoxy-4-methoxyphenyl)acrylic acid,
AKOS B005207,
AC1LGWE2,
CTK4I6119,
DTXSID90358128,
AKOS030253908,
MCULE-8379455195,
CID877911,
(2E)-3-(2-BROMO-5-ETHOXY-4-METHOXYPHENYL)ACRYLIC ACID,
3-(2-bromo-5-ethoxy-4-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
Lot Number