| CAS Number | 2096339-90-9 |
| Catalog Number | AG01EHM8 |
| Chemical Name | 2,4-Difluoro-3-isopropoxy-5-methylphenylboronic acid |
| IUPAC Name | (2,4-difluoro-5-methyl-3-propan-2-yloxyphenyl)boronic acid |
| InChI | InChI=1S/C10H13BF2O3/c1-5(2)16-10-8(12)6(3)4-7(9(10)13)11(14)15/h4-5,14-15H,1-3H3 |
| InChI Key | CJYRRWCWAJPESW-UHFFFAOYSA-N |
| MDL Number | MFCD19981533 |
| Molecular Formula | C10H13BF2O3 |
| Molecular Weight | 230.0162 |
| SMILES | FC1=C(C=C(C(=C1OC(C)C)F)C)B(O)O |
| Synonyms | 2,4-Difluoro-3-isopropoxy-5-methylphenylboronic acid,
2096339-90-9,
(2,4-Difluoro-3-isopropoxy-5-methylphenyl)boronic acid,
MFCD19981533,
ZINC169955582,
Y2219,
B-9659,
C10H13BF2O3,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.018g/mol |
| Monoisotopic Mass | 230.093g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.7A^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