| CAS Number | 1311184-95-8 |
| Catalog Number | AG01AJH3 |
| Chemical Name | {2-[(2-chloro-4-fluorophenyl)methoxy]phenyl}boronic acid |
| IUPAC Name | [2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]boronic acid |
| InChI | InChI=1S/C13H11BClFO3/c15-12-7-10(16)6-5-9(12)8-19-13-4-2-1-3-11(13)14(17)18/h1-7,17-18H,8H2 |
| InChI Key | FTSJBROJHPEWPI-UHFFFAOYSA-N |
| MDL Number | MFCD12463465 |
| Molecular Formula | C13H11BClFO3 |
| Molecular Weight | 280.487 |
| SMILES | OB(C1=C(OCC2=C(Cl)C=C(F)C=C2)C=CC=C1)O |
| Synonyms | {2-[(2-chloro-4-fluorophenyl)methoxy]phenyl}boronic acid,
1311184-95-8,
AKOS005875333,
ZINC169922428,
NE34132,
EN300-80745,
{2-[(2-chloro-4-fluorophenyl)methoxy]phenyl}boranediol,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.486g/mol |
| Monoisotopic Mass | 280.047g/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
Certificate of Analysis
Lot Number