| CAS Number | 1228310-17-5 |
| Catalog Number | AG009WUW(AGN-PC-0WAC0M) |
| Chemical Name | 6-Isobutoxynaphthalene-2-boronic acid |
| IUPAC Name | [6-(2-methylpropoxy)naphthalen-2-yl]boronic acid |
| InChI | InChI=1S/C14H17BO3/c1-10(2)9-18-14-6-4-11-7-13(15(16)17)5-3-12(11)8-14/h3-8,10,16-17H,9H2,1-2H3 |
| InChI Key | LRZCWHYVQRQCFU-UHFFFAOYSA-N |
| MDL Number | MFCD16260717 |
| Molecular Formula | C14H17BO3 |
| Molecular Weight | 244.0940 |
| SMILES | CC(COc1ccc2c(c1)ccc(c2)B(O)O)C |
| Synonyms | 1228310-17-5,
6-Isobutoxynaphthalene-2-boronic acid,
6-(2-Methylpropoxy)-2-naphthaleneboronic acid,
SCHEMBL2560860,
LRZCWHYVQRQCFU-UHFFFAOYSA-N,
AKOS006000745,
ZINC169926537,
6-Isobutoxynaphthalen-2-yl-boronic acid,
OR361287,
Y3918,
Q-7178,
C14H17BO3,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.097g/mol |
| Monoisotopic Mass | 244.127g/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