| CAS Number | 1701449-09-3 |
| Catalog Number | AG00HZDF(AGN-PC-0WP1O0) |
| Chemical Name | 3-Chloro-4-ethoxy-5-methoxyphenylboronic acid |
| IUPAC Name | (3-chloro-4-ethoxy-5-methoxyphenyl)boronic acid |
| InChI | InChI=1S/C9H12BClO4/c1-3-15-9-7(11)4-6(10(12)13)5-8(9)14-2/h4-5,12-13H,3H2,1-2H3 |
| InChI Key | WMLDEIMFMBMJHS-UHFFFAOYSA-N |
| MDL Number | MFCD20441802 |
| Molecular Formula | C9H12BClO4 |
| Molecular Weight | 230.4532 |
| SMILES | CCOc1c(Cl)cc(cc1OC)B(O)O |
| Synonyms | 3-Chloro-4-ethoxy-5-methoxyphenylboronic acid,
1701449-09-3,
(3-chloro-4-ethoxy-5-methoxyphenyl)boronic acid,
MFCD20441802,
ZINC169955325,
Y2535,
B-9515,
C9H12BClO4,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.451g/mol |
| Monoisotopic Mass | 230.052g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number