| CAS Number | 354531-46-7 |
| Catalog Number | AG00C600(AGN-PC-0WB4FQ) |
| Chemical Name | (E)-3-(3-Bromo-4-ethoxy-5-methoxyphenyl)acrylic acid |
| IUPAC Name | 3-(3-bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid |
| InChI | InChI=1S/C12H13BrO4/c1-3-17-12-9(13)6-8(4-5-11(14)15)7-10(12)16-2/h4-7H,3H2,1-2H3,(H,14,15) |
| InChI Key | OCNNTFKDKKGPHK-UHFFFAOYSA-N |
| MDL Number | MFCD01873769 |
| Molecular Formula | C12H13BrO4 |
| Molecular Weight | 301.1332 |
| SMILES | C1(OCC)=C(OC)C=C(C=C1Br)/C=C/C(O)=O |
| Synonyms | 3-(3-bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid,
354531-46-7,
(E)-3-(3-Bromo-4-ethoxy-5-methoxyphenyl)acrylic acid,
AKOS B004811,
AC1LE371,
CTK4H4585,
DTXSID10351636,
AKOS030253915,
MCULE-3363810122,
CID705633,
(2E)-3-(3-BROMO-4-ETHOXY-5-METHOXYPHENYL)ACRYLIC ACID,
3-(3-bromo-4-ethoxy-5-methoxy-phenyl)prop-2-enoic Acid,
|
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number