| CAS Number | 2096341-61-4 |
| Catalog Number | AG01EHLE |
| Chemical Name | 3-chloro-4-isopropoxy-5-methoxyphenylboronic acid |
| IUPAC Name | (3-chloro-5-methoxy-4-propan-2-yloxyphenyl)boronic acid |
| InChI | InChI=1S/C10H14BClO4/c1-6(2)16-10-8(12)4-7(11(13)14)5-9(10)15-3/h4-6,13-14H,1-3H3 |
| InChI Key | PELOJNIOEOCUKW-UHFFFAOYSA-N |
| MDL Number | MFCD21332922 |
| Molecular Formula | C10H14BClO4 |
| Molecular Weight | 244.4798 |
| SMILES | COc1cc(cc(c1OC(C)C)Cl)B(O)O |
| Synonyms | 3-CHLORO-4-ISOPROPOXY-5-METHOXYPHENYLBORONIC ACID,
2096341-61-4,
(3-Chloro-4-isopropoxy-5-methoxyphenyl)boronic acid,
KM3687,
MFCD21332922,
ZINC169964627,
Y2543,
C10H14BClO4,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.478g/mol |
| Monoisotopic Mass | 244.067g/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