| CAS Number | 1256355-85-7 |
| Catalog Number | AG000O4P(AGN-PC-06KD48) |
| Chemical Name | 2-(2,6-Dichlorophenylmethoxy)phenylboronic acid |
| IUPAC Name | [2-[(2,6-dichlorophenyl)methoxy]phenyl]boronic acid |
| InChI | InChI=1S/C13H11BCl2O3/c15-11-5-3-6-12(16)9(11)8-19-13-7-2-1-4-10(13)14(17)18/h1-7,17-18H,8H2 |
| InChI Key | GMDQQBXOTWOKNM-UHFFFAOYSA-N |
| MDL Number | MFCD12634041 |
| Molecular Formula | C13H11BCl2O3 |
| Molecular Weight | 296.9416 |
| SMILES | OB(c1ccccc1OCc1c(Cl)cccc1Cl)O |
| Synonyms | 1256355-85-7,
2-(2,6-DICHLOROPHENYLMETHOXY)PHENYLBORONIC ACID,
(2-((2,6-Dichlorobenzyl)oxy)phenyl)boronic acid,
SCHEMBL2559680,
CTK4B4653,
DTXSID10655843,
MFCD12634041,
AKOS009319810,
ZINC169922441,
TR-035316,
{2-[(2,6-Dichlorophenyl)methoxy]phenyl}boronic acid,
Boronic acid, B-[2-[(2,6-dichlorophenyl)methoxy]phenyl]-,
2-(2,6-dichlorophenylmethoxy)phenylboronicacid,
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| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.938g/mol |
| Monoisotopic Mass | 296.018g/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
Lot Number