| CAS Number | 1236189-95-9 |
| Catalog Number | AG01AH5R |
| Chemical Name | [3-(3-Methylbutoxy)phenyl]boronic acid |
| IUPAC Name | [3-(3-methylbutoxy)phenyl]boronic acid |
| InChI | InChI=1S/C11H17BO3/c1-9(2)6-7-15-11-5-3-4-10(8-11)12(13)14/h3-5,8-9,13-14H,6-7H2,1-2H3 |
| InChI Key | AIFBGNPSZLRGLB-UHFFFAOYSA-N |
| MDL Number | MFCD11183190 |
| Molecular Formula | C11H17BO3 |
| Molecular Weight | 208.0619 |
| SMILES | CC(CCOC1=CC(B(O)O)=CC=C1)C |
| Synonyms | [3-(3-methylbutoxy)phenyl]boronic acid,
1236189-95-9,
SCHEMBL2559788,
[3-(3-methylbutoxy)phenyl]boranediol,
ZINC169922488,
NE20344,
EN300-73783,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.064g/mol |
| Monoisotopic Mass | 208.127g/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
Certificate of Analysis
Lot Number