| CAS Number | 2096338-13-3 |
| Catalog Number | AG01EHMV |
| Chemical Name | 4-Chloro-2-(pentyloxy)phenylboronic acid |
| IUPAC Name | (4-chloro-2-pentoxyphenyl)boronic acid |
| InChI | InChI=1S/C11H16BClO3/c1-2-3-4-7-16-11-8-9(13)5-6-10(11)12(14)15/h5-6,8,14-15H,2-4,7H2,1H3 |
| InChI Key | FUZPLNFBZCLUBA-UHFFFAOYSA-N |
| MDL Number | MFCD19684101 |
| Molecular Formula | C11H16BClO3 |
| Molecular Weight | 242.5069 |
| SMILES | OB(C1=CC=C(Cl)C=C1OCCCCC)O |
| Synonyms | 4-Chloro-2-(pentyloxy)phenylboronic acid,
2096338-13-3,
(4-Chloro-2-(pentyloxy)phenyl)boronic acid,
C11H16BClO3,
MFCD19684101,
AKOS027349987,
ZINC169955197,
Y2725,
A-2706,
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| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.506g/mol |
| Monoisotopic Mass | 242.088g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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