| CAS Number | 2096336-36-4 |
| Catalog Number | AG01EHD6 |
| Chemical Name | 4-Fluoro-2-isopropoxy-5-methylphenylboronic acid |
| IUPAC Name | (4-fluoro-5-methyl-2-propan-2-yloxyphenyl)boronic acid |
| InChI | InChI=1S/C10H14BFO3/c1-6(2)15-10-5-9(12)7(3)4-8(10)11(13)14/h4-6,13-14H,1-3H3 |
| InChI Key | NFZPUJRYQPRMIA-UHFFFAOYSA-N |
| MDL Number | MFCD20231447 |
| Molecular Formula | C10H14BFO3 |
| Molecular Weight | 212.0258 |
| SMILES | CC(Oc1cc(F)c(cc1B(O)O)C)C |
| Synonyms | 4-Fluoro-2-isopropoxy-5-methylphenylboronic acid,
2096336-36-4,
(4-Fluoro-2-isopropoxy-5-methylphenyl)boronic acid,
MFCD20231447,
ZINC169955302,
Y2745,
B-9487,
C10H14BFO3,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.027g/mol |
| Monoisotopic Mass | 212.102g/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