| CAS Number | 1072951-67-7 |
| Catalog Number | AG007ERZ(AGN-PC-00UR0F) |
| Chemical Name | 4-[(4-tert-Butyl-2-methylphenoxy)methyl]phenylboronic acid |
| IUPAC Name | [4-[(4-tert-butyl-2-methylphenoxy)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C18H23BO3/c1-13-11-15(18(2,3)4)7-10-17(13)22-12-14-5-8-16(9-6-14)19(20)21/h5-11,20-21H,12H2,1-4H3 |
| InChI Key | OPUGDQNAZFDADD-UHFFFAOYSA-N |
| MDL Number | MFCD09265139 |
| Molecular Formula | C18H23BO3 |
| Molecular Weight | 298.1844 |
| SMILES | OB(c1ccc(cc1)COc1ccc(cc1C)C(C)(C)C)O |
| Synonyms | 1072951-67-7,
4-[(4-tert-Butyl-2-methylphenoxy)methyl]phenylboronic acid,
(4-((4-(tert-Butyl)-2-methylphenoxy)methyl)phenyl)boronic acid,
ACMC-2098te,
SCHEMBL9893596,
CTK4A5296,
DTXSID90584900,
ANW-15696,
MFCD09265139,
AKOS015838110,
ZINC169903657,
RTR-001630,
OR361620,
AX8254782,
TR-001630,
Z7077,
A-9137,
I04-2019,
[4-(4-tert-Butyl-2-methylphenoxymethyl)phenyl]boronic acid,
{4-[(4-tert-Butyl-2-methylphenoxy)methyl]phenyl}boronic acid,
C18H23BO3,
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| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.189g/mol |
| Monoisotopic Mass | 298.174g/mol |
| Rotatable Bond Count | 5 |
| 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