| CAS Number | 1331945-14-2 |
| Catalog Number | AG0014DU(AGN-PC-0WRAE2) |
| Chemical Name | Boronic acid, B-[2-fluoro-4-(hydroxymethyl)phenyl]- |
| IUPAC Name | [2-fluoro-4-(hydroxymethyl)phenyl]boronic acid |
| InChI | InChI=1S/C7H8BFO3/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-3,10-12H,4H2 |
| InChI Key | YPJXLOUZOVHAIZ-UHFFFAOYSA-N |
| MDL Number | MFCD21603758 |
| Molecular Formula | C7H8BFO3 |
| Molecular Weight | 169.9460 |
| SMILES | FC1=C(C=CC(=C1)CO)B(O)O |
| Synonyms | 1331945-14-2,
[2-fluoro-4-(hydroxymethyl)phenyl]boronic acid,
(2-Fluoro-4-(hydroxymethyl)phenyl)boronic acid,
2-Fluoro-4-hydroxymethylphenylboronic acid,
4-(hydroxymethyl)-2-fluorophenylboronic acid,
SCHEMBL2295096,
MFCD21603758,
AKOS022179878,
ZINC169988635,
FCH1564016,
PS-9779,
AK-54289,
PC412422,
CS-0063797,
Z9693,
2-FLUORO-4-(HYDROXYMETHYL)PHENYLBORONIC ACID,
Boronic acid, B-[2-fluoro-4-(hydroxymethyl)phenyl]-,
C7H8BFO3,
ACN-044326,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.946g/mol |
| Monoisotopic Mass | 170.055g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.7A^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