| CAS Number | 518023-87-5 |
| Catalog Number | AG00DAT2(AGN-PC-0WB4RZ) |
| Chemical Name | (E)-3-(5-Bromo-3-chloro-2-methoxyphenyl)acrylic acid |
| IUPAC Name | 3-(5-bromo-3-chloro-2-methoxyphenyl)prop-2-enoic acid |
| InChI | InChI=1S/C10H8BrClO3/c1-15-10-6(2-3-9(13)14)4-7(11)5-8(10)12/h2-5H,1H3,(H,13,14) |
| InChI Key | GMXRDEQHWGMZRY-UHFFFAOYSA-N |
| MDL Number | MFCD03716726 |
| Molecular Formula | C10H8BrClO3 |
| Molecular Weight | 291.5257 |
| SMILES | C1(=CC(Br)=CC(Cl)=C1OC)/C=C/C(O)=O |
| Synonyms | 518023-87-5,
(E)-3-(5-Bromo-3-chloro-2-methoxyphenyl)acrylic acid,
3-(5-bromo-3-chloro-2-methoxyphenyl)prop-2-enoic acid,
CHEMBRDG-BB 7290522,
AC1LI6UP,
CTK4J4877,
DTXSID90358466,
AKOS030253945,
MCULE-4215506698,
CID898901,
(2E)-3-(5-BROMO-3-CHLORO-2-METHOXYPHENYL)ACRYLIC ACID,
3-(5-bromo-3-chloro-2-methoxy-phenyl)prop-2-enoic Acid,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.525g/mol |
| Monoisotopic Mass | 289.935g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^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