| CAS Number | 2096332-15-7 |
| Catalog Number | AG01EHKK |
| Chemical Name | 4-Chloro-2-((tetrahydro-2H-pyran-2-yl)methoxy)phenylboronic acid |
| IUPAC Name | [4-chloro-2-(oxan-2-ylmethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C12H16BClO4/c14-9-4-5-11(13(15)16)12(7-9)18-8-10-3-1-2-6-17-10/h4-5,7,10,15-16H,1-3,6,8H2 |
| InChI Key | QENSDXMOEIJQER-UHFFFAOYSA-N |
| MDL Number | MFCD18311839 |
| Molecular Formula | C12H16BClO4 |
| Molecular Weight | 270.5170 |
| SMILES | Clc1ccc(c(c1)OCC1CCCCO1)B(O)O |
| Synonyms | 4-CHLORO-2-((TETRAHYDRO-2H-PYRAN-2-YL)METHOXY)PHENYLBORONIC ACID,
2096332-15-7,
(4-Chloro-2-((tetrahydro-2H-pyran-2-yl)methoxy)phenyl)boronic acid,
C12H16BClO4,
MFCD18311839,
AKOS027342105,
Y2718,
B-9242,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.516g/mol |
| Monoisotopic Mass | 270.083g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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