| CAS Number | 1236190-86-5 |
| Catalog Number | AG00HHD0 |
| Chemical Name | [3-(Cyclohexyloxy)phenyl]boronic acid |
| IUPAC Name | (3-cyclohexyloxyphenyl)boronic acid |
| InChI | InChI=1S/C12H17BO3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h4-5,8-9,11,14-15H,1-3,6-7H2 |
| InChI Key | JXZKDQGRYCFMAV-UHFFFAOYSA-N |
| MDL Number | MFCD11183201 |
| Molecular Formula | C12H17BO3 |
| Molecular Weight | 220.0726 |
| SMILES | OB(C1=CC(OC2CCCCC2)=CC=C1)O |
| Synonyms | [3-(cyclohexyloxy)phenyl]boronic acid,
1236190-86-5,
ZINC169922533,
NE27926,
3-(cyclohexyloxy)phenylboronic acid,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.075g/mol |
| Monoisotopic Mass | 220.127g/mol |
| Rotatable Bond Count | 3 |
| 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