| CAS Number | 932843-98-6 |
| Catalog Number | AG019N22 |
| Chemical Name | 2-(2-Bromo-4-cyano-6-ethoxyphenoxy)acetic acid |
| IUPAC Name | 2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetic acid |
| InChI | InChI=1S/C11H10BrNO4/c1-2-16-9-4-7(5-13)3-8(12)11(9)17-6-10(14)15/h3-4H,2,6H2,1H3,(H,14,15) |
| InChI Key | UYFDYMXUGXYSHC-UHFFFAOYSA-N |
| MDL Number | MFCD02256604 |
| Molecular Formula | C11H10BrNO4 |
| Molecular Weight | 300.1054 |
| SMILES | CCOC1=C(OCC(O)=O)C(Br)=CC(C#N)=C1 |
| Synonyms | 2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetic acid,
(2-bromo-4-cyano-6-ethoxyphenoxy)acetic acid,
932843-98-6,
EN300-39192,
AC1Q35WO,
CTK6G0522,
ZINC5953426,
AKOS000305273,
MCULE-7333195582,
NE24849,
Z425449654,
|
| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.108g/mol |
| Monoisotopic Mass | 298.979g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 79.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number