| CAS Number | 2096331-99-4 |
| Catalog Number | AG01EHHG |
| Chemical Name | (2,5-Difluoro-4-propoxyphenyl)boronic acid |
| IUPAC Name | (2,5-difluoro-4-propoxyphenyl)boronic acid |
| InChI | InChI=1S/C9H11BF2O3/c1-2-3-15-9-5-7(11)6(10(13)14)4-8(9)12/h4-5,13-14H,2-3H2,1H3 |
| InChI Key | OQIRUCQCCFOTJM-UHFFFAOYSA-N |
| MDL Number | MFCD20529441 |
| Molecular Formula | C9H11BF2O3 |
| Molecular Weight | 215.9896 |
| SMILES | FC1=C(C=C(C(=C1)OCCC)F)B(O)O |
| Synonyms | 2,5-Difluoro-4-propoxyphenylboronic acid,
2096331-99-4,
(2,5-difluoro-4-propoxyphenyl)boronic acid,
MFCD20529441,
ZINC169955423,
Y2235,
B-9553,
C9H11BF2O3,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.991g/mol |
| Monoisotopic Mass | 216.077g/mol |
| Rotatable Bond Count | 4 |
| 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