| CAS Number | 423752-65-2 |
| Catalog Number | AG00C63D(AGN-PC-0WB4F5) |
| Chemical Name | (2E)-3-(5-Bromo-2,4-diethoxyphenyl)acrylic acid |
| IUPAC Name | 3-(5-bromo-2,4-diethoxyphenyl)prop-2-enoic acid |
| InChI | InChI=1S/C13H15BrO4/c1-3-17-11-8-12(18-4-2)10(14)7-9(11)5-6-13(15)16/h5-8H,3-4H2,1-2H3,(H,15,16) |
| InChI Key | OGFFBKLVMGWPEQ-UHFFFAOYSA-N |
| MDL Number | MFCD02212564 |
| Molecular Formula | C13H15BrO4 |
| Molecular Weight | 315.1598 |
| SMILES | C1C(OCC)=C(Br)C=C(/C=C/C(O)=O)C=1OCC |
| Synonyms | 423752-65-2,
(E)-3-(5-Bromo-2,4-diethoxyphenyl)acrylic acid,
3-(5-bromo-2,4-diethoxyphenyl)prop-2-enoic acid,
CHEMBRDG-BB 5967408,
(2E)-3-(5-BROMO-2,4-DIETHOXYPHENYL)ACRYLIC ACID,
AC1LGVTU,
CTK4I6130,
DTXSID00358114,
AKOS030253917,
MCULE-4794156733,
CID877641,
3-(5-bromo-2,4-diethoxy-phenyl)prop-2-enoic Acid,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.163g/mol |
| Monoisotopic Mass | 314.015g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number