| CAS Number | 1256358-44-7 |
| Catalog Number | AG000O4M(AGN-PC-06GMIK) |
| Chemical Name | 4-(3,4-Dichlorophenylmethoxy)phenylboronic acid |
| IUPAC Name | [4-[(3,4-dichlorophenyl)methoxy]phenyl]boronic acid |
| InChI | InChI=1S/C13H11BCl2O3/c15-12-6-1-9(7-13(12)16)8-19-11-4-2-10(3-5-11)14(17)18/h1-7,17-18H,8H2 |
| InChI Key | JVNVVJSQSXECFD-UHFFFAOYSA-N |
| MDL Number | MFCD12634046 |
| Molecular Formula | C13H11BCl2O3 |
| Molecular Weight | 296.9416 |
| SMILES | OB(c1ccc(cc1)OCc1ccc(c(c1)Cl)Cl)O |
| Synonyms | 1256358-44-7,
4-(3,4-DICHLOROPHENYLMETHOXY)PHENYLBORONIC ACID,
(4-((3,4-Dichlorobenzyl)oxy)phenyl)boronic acid,
SCHEMBL2558947,
CTK4B4656,
DTXSID00655554,
MFCD12634046,
AKOS009319995,
ZINC169922482,
TR-035319,
X1973,
{4-[(3,4-Dichlorophenyl)methoxy]phenyl}boronic acid,
Boronic acid, B-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-,
C13H11BCl2O3,
4-(3,4-dichlorophenylmethoxy)phenylboronicacid,
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| Complexity | 273 |
| 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