| CAS Number | 1072951-87-1 |
| Catalog Number | AG003G7P(AGN-PC-0WA5UR) |
| Chemical Name | (2-((2-Isopropyl-5-methylphenoxy)methyl)phenyl)boronic acid |
| IUPAC Name | [2-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C17H21BO3/c1-12(2)15-9-8-13(3)10-17(15)21-11-14-6-4-5-7-16(14)18(19)20/h4-10,12,19-20H,11H2,1-3H3 |
| InChI Key | JDYAGWNUTBEZCI-UHFFFAOYSA-N |
| MDL Number | MFCD08276821 |
| Molecular Formula | C17H21BO3 |
| Molecular Weight | 284.1578 |
| SMILES | CC1=CC=C(C(C)C)C(OCC2=CC=CC=C2B(O)O)=C1 |
| Synonyms | 1072951-87-1,
2-[(2-Isopropyl-5-methylphenoxy)methyl]phenylboronic acid,
(2-((2-Isopropyl-5-methylphenoxy)methyl)phenyl)boronic acid,
ACMC-2098tu,
SCHEMBL2558164,
CTK4A5307,
DTXSID00584759,
ANW-15712,
MFCD08276821,
AKOS010795579,
IMED824064979,
ZINC169903700,
RTR-001646,
OR361307,
AX8281790,
TR-001646,
Z7089,
I04-2047,
(2-{[5-Methyl-2-(propan-2-yl)phenoxy]methyl}phenyl)boronic acid,
C17H21BO3,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.162g/mol |
| Monoisotopic Mass | 284.158g/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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number