| CAS Number | 938443-35-7 |
| Catalog Number | AG00IHVD(AGN-PC-0WBPJG) |
| Chemical Name | [4-(Cyclohexylmethoxy)phenyl]boronic acid |
| IUPAC Name | [4-(cyclohexylmethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C13H19BO3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h6-9,11,15-16H,1-5,10H2 |
| InChI Key | KXOJKGOXRZMOBU-UHFFFAOYSA-N |
| MDL Number | MFCD11183183 |
| Molecular Formula | C13H19BO3 |
| Molecular Weight | 234.0992 |
| SMILES | OB(O)C(C=C1)=CC=C1OCC2CCCCC2 |
| Synonyms | 938443-35-7,
[4-(Cyclohexylmethoxy)phenyl]boranediol,
[4-(cyclohexylmethoxy)phenyl]boronic acid,
SCHEMBL3289627,
KXOJKGOXRZMOBU-UHFFFAOYSA-N,
ALBB-021225,
MFCD11183183,
AKOS000264844,
ZINC169922466,
4-(cyclohexylmethoxy)-phenylboronic acid,
boronic acid, [4-(cyclohexylmethoxy)phenyl]-,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.102g/mol |
| Monoisotopic Mass | 234.143g/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
Certificate of Analysis
Lot Number