| CAS Number | 871126-24-8 |
| Catalog Number | AG003ETU(AGN-PC-0VAUO2) |
| Chemical Name | 2-(3'-Fluorobenzyloxy)phenylboronic acid |
| IUPAC Name | [2-[(3-fluorophenyl)methoxy]phenyl]boronic acid |
| InChI | InChI=1S/C13H12BFO3/c15-11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)14(16)17/h1-8,16-17H,9H2 |
| InChI Key | OYOSTGWFRFFDLQ-UHFFFAOYSA-N |
| MDL Number | MFCD07784392 |
| Molecular Formula | C13H12BFO3 |
| Molecular Weight | 246.0420 |
| SMILES | Fc1cccc(c1)COc1ccccc1B(O)O |
| Synonyms | 871126-24-8,
(2-((3-Fluorobenzyl)oxy)phenyl)boronic acid,
2-(3'-Fluorobenzyloxy)phenylboronic acid,
2-(3-Fluorobenzyloxy)phenylboronic acid,
{2-[(3-fluorobenzyl)oxy]phenyl}boronic acid,
SCHEMBL2558783,
CTK8B2518,
DTXSID30584722,
OYOSTGWFRFFDLQ-UHFFFAOYSA-N,
ANW-38516,
MFCD07784392,
AKOS009318218,
ZINC169877326,
RTR-027178,
PC412403,
AX8280867,
X2592,
{2-[(3-Fluorophenyl)methoxy]phenyl}boronic acid,
I01-11455,
2-(3 inverted exclamation marka-Fluorobenzyloxy)phenylboronic acid,
C13H12BFO3,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.044g/mol |
| Monoisotopic Mass | 246.086g/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
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Certificate of Analysis
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