| CAS Number | 1256355-06-2 |
| Catalog Number | AG000O2O(AGN-PC-0WAA81) |
| Chemical Name | 4-Chloro-2-isobutoxyphenylboronic acid |
| IUPAC Name | [4-chloro-2-(2-methylpropoxy)phenyl]boronic acid |
| InChI | InChI=1S/C10H14BClO3/c1-7(2)6-15-10-5-8(12)3-4-9(10)11(13)14/h3-5,7,13-14H,6H2,1-2H3 |
| InChI Key | OLKLKLXBOXFPJL-UHFFFAOYSA-N |
| MDL Number | MFCD17015772 |
| Molecular Formula | C10H14BClO3 |
| Molecular Weight | 228.4804 |
| SMILES | OB(c1ccc(cc1OCC(C)C)Cl)O |
| Synonyms | 1256355-06-2,
(4-Chloro-2-isobutoxyphenyl)boronic acid,
4-CHLORO-2-ISOBUTOXYPHENYLBORONIC ACID,
ACMC-209ay1,
[4-chloro-2-(2-methylpropoxy)phenyl]boronic acid,
CTK4B4580,
DTXSID70681709,
ANW-18455,
MFCD17015772,
AKOS015850142,
ZINC169934550,
OR360536,
AX8236172,
TR-035238,
X1902,
B-2753,
I04-2544,
Boronic acid, B-[4-chloro-2-(2-methylpropoxy)phenyl]-,
C10H14BClO3,
(4-Chloro-2-isobutoxyphenyl)boronicacid,
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| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.479g/mol |
| Monoisotopic Mass | 228.072g/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