| CAS Number | 1035491-05-4 |
| Catalog Number | AG00HA3I |
| Chemical Name | [4-(4-Chlorophenoxy)phenyl]boronic acid |
| IUPAC Name | [4-(4-chlorophenoxy)phenyl]boronic acid |
| InChI | InChI=1S/C12H10BClO3/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8,15-16H |
| InChI Key | KWCZAQAFQKTBBY-UHFFFAOYSA-N |
| MDL Number | MFCD13182407 |
| Molecular Formula | C12H10BClO3 |
| Molecular Weight | 248.4700 |
| SMILES | Clc1ccc(cc1)Oc1ccc(cc1)B(O)O |
| Synonyms | 1035491-05-4,
[4-(4-chlorophenoxy)phenyl]boronic acid,
4-(4-chlorophenoxy)phenylboronic acid,
SCHEMBL13167946,
ZINC201089255,
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| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.469g/mol |
| Monoisotopic Mass | 248.041g/mol |
| Rotatable Bond Count | 3 |
| 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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