| CAS Number | 1793003-64-1 |
| Catalog Number | AG00HZXV |
| Chemical Name | 3-Chloro-4,5-diisopropoxyphenylboronic acid |
| IUPAC Name | [3-chloro-4,5-di(propan-2-yloxy)phenyl]boronic acid |
| InChI | InChI=1S/C12H18BClO4/c1-7(2)17-11-6-9(13(15)16)5-10(14)12(11)18-8(3)4/h5-8,15-16H,1-4H3 |
| InChI Key | XLBDNXHYKMPCQU-UHFFFAOYSA-N |
| MDL Number | MFCD21332929 |
| Molecular Formula | C12H18BClO4 |
| Molecular Weight | 272.5329 |
| SMILES | CC(Oc1cc(cc(c1OC(C)C)Cl)B(O)O)C |
| Synonyms | 3-Chloro-4,5-diisopropoxyphenylboronic acid,
1793003-64-1,
(3-Chloro-4,5-diisopropoxyphenyl)boronic acid,
MFCD21332929,
AKOS026671091,
ZINC169964659,
Y2531,
B-9443,
C12H18BClO4,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.532g/mol |
| Monoisotopic Mass | 272.099g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number