| CAS Number | 2096331-35-8 |
| Catalog Number | AG01EHHP |
| Chemical Name | 3-Chloro-5-isopropoxy-4-methoxyphenylboronic acid |
| IUPAC Name | (3-chloro-4-methoxy-5-propan-2-yloxyphenyl)boronic acid |
| InChI | InChI=1S/C10H14BClO4/c1-6(2)16-9-5-7(11(13)14)4-8(12)10(9)15-3/h4-6,13-14H,1-3H3 |
| InChI Key | ZFTCCQQHFRRHQP-UHFFFAOYSA-N |
| MDL Number | MFCD20529444 |
| Molecular Formula | C10H14BClO4 |
| Molecular Weight | 244.4798 |
| SMILES | COc1c(OC(C)C)cc(cc1Cl)B(O)O |
| Synonyms | 3-Chloro-5-isopropoxy-4-methoxyphenylboronic acid,
2096331-35-8,
(3-Chloro-5-isopropoxy-4-methoxyphenyl)boronic acid,
MFCD20529444,
AKOS027358056,
ZINC169955433,
Y2557,
B-9474,
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