| CAS Number | 2096329-94-9 |
| Catalog Number | AG01EHN3 |
| Chemical Name | 3-Chloro-4-fluoro-5-(methoxycarbonyl)phenylboronic acid, pinacol ester |
| IUPAC Name | methyl 3-chloro-2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
| InChI | InChI=1S/C14H17BClFO4/c1-13(2)14(3,4)21-15(20-13)8-6-9(12(18)19-5)11(17)10(16)7-8/h6-7H,1-5H3 |
| InChI Key | BWDLQSGNBUZBJF-UHFFFAOYSA-N |
| MDL Number | MFCD18837625 |
| Molecular Formula | C14H17BClFO4 |
| Molecular Weight | 314.5448 |
| SMILES | COC(=O)c1cc(cc(c1F)Cl)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 3-Chloro-4-fluoro-5-(methoxycarbonyl)phenylboronic acid, pinacol ester,
2096329-94-9,
methyl 3-chloro-2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate,
MFCD18837625,
AKOS027358206,
ZINC169951814,
A-3054,
N/A,
|
| Complexity | 402 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.544g/mol |
| Monoisotopic Mass | 314.089g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.8A^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