| CAS Number | 1683545-35-8 |
| Catalog Number | AG00ANMC |
| Chemical Name | 4-(Ethoxycarbonyldifluoromethyl)phenylboronic acid pinacol ester |
| IUPAC Name | ethyl 2,2-difluoro-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate |
| InChI | InChI=1S/C16H21BF2O4/c1-6-21-13(20)16(18,19)11-7-9-12(10-8-11)17-22-14(2,3)15(4,5)23-17/h7-10H,6H2,1-5H3 |
| InChI Key | BLKXMWVVPMNZCZ-UHFFFAOYSA-N |
| MDL Number | MFCD20278276 |
| Molecular Formula | C16H21BF2O4 |
| Molecular Weight | 326.1433 |
| SMILES | O=C(OCC)C(F)(F)C1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1 |
| Synonyms | 1683545-35-8,
Ethyl 2,2-Difluoro-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate,
Ethyl 2,2-difluoro-2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate,
4-(Ethoxycarbonyldifluoromethyl)phenylboronic acid pinacol ester,
C16H21BF2O4,
4-(Ethoxycarbonyldifluoromethyl)-phenyl-boronic acid pinacol ester,
MFCD20278276,
ZINC169810382,
Y2918,
B-9595,
|
| Complexity | 429 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.15g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.147g/mol |
| Monoisotopic Mass | 326.15g/mol |
| Rotatable Bond Count | 5 |
| 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