| CAS Number | 1704066-77-2 |
| Catalog Number | AG00AR96(AGN-PC-0WCRKD) |
| Chemical Name | [3-(ethoxymethyl)-4-fluorophenyl]boronic acid |
| IUPAC Name | [3-(ethoxymethyl)-4-fluorophenyl]boronic acid |
| InChI | InChI=1S/C9H12BFO3/c1-2-14-6-7-5-8(10(12)13)3-4-9(7)11/h3-5,12-13H,2,6H2,1H3 |
| InChI Key | JWFXXKJWAOJNIV-UHFFFAOYSA-N |
| MDL Number | MFCD28384219 |
| Molecular Formula | C9H12BFO3 |
| Molecular Weight | 197.9992 |
| SMILES | B(c1ccc(c(c1)COCC)F)(O)O |
| Synonyms | (3-(ethoxymethyl)-4-fluorophenyl)boronic acid,
1704066-77-2,
[3-(ethoxymethyl)-4-fluorophenyl]boronic acid,
MFCD28384219,
AKOS025286556,
ZINC230536398,
AM88336,
AS-55320,
3-(ETHOXYMETHYL)-4-FLUOROPHENYLBORONIC ACID,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198g/mol |
| Monoisotopic Mass | 198.086g/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