| CAS Number | 1956356-17-4 |
| Catalog Number | AG01EFN0 |
| Chemical Name | Ethyl 2-(4-bromo-2-chloro-6-cyanophenoxy)acetate |
| IUPAC Name | ethyl 2-(4-bromo-2-chloro-6-cyanophenoxy)acetate |
| InChI | InChI=1S/C11H9BrClNO3/c1-2-16-10(15)6-17-11-7(5-14)3-8(12)4-9(11)13/h3-4H,2,6H2,1H3 |
| InChI Key | DXHHFGSEJXOYIS-UHFFFAOYSA-N |
| MDL Number | MFCD29059350 |
| Molecular Formula | C11H9BrClNO3 |
| Molecular Weight | 318.5511 |
| SMILES | CCOC(=O)COc1c(Cl)cc(Br)cc1C#N |
| Synonyms | Ethyl 2-(4-bromo-2-chloro-6-cyanophenoxy)acetate,
1956356-17-4,
MFCD29059350,
AKOS027256439,
ZINC261507066,
CS-0039813,
Acetic acid, 2-(4-bromo-2-chloro-6-cyanophenoxy)-, ethyl ester,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.551g/mol |
| Monoisotopic Mass | 316.945g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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