| CAS Number | 1182283-83-5 |
| Catalog Number | AG0095HX(AGN-PC-0WCRO4) |
| Chemical Name | (4-(3-Chloropropoxy)phenyl)boronic acid |
| IUPAC Name | [4-(3-chloropropoxy)phenyl]boronic acid |
| InChI | InChI=1S/C9H12BClO3/c11-6-1-7-14-9-4-2-8(3-5-9)10(12)13/h2-5,12-13H,1,6-7H2 |
| InChI Key | QEPYXWNDHGBFQI-UHFFFAOYSA-N |
| MDL Number | MFCD28384317 |
| Molecular Formula | C9H12BClO3 |
| Molecular Weight | 214.4538 |
| SMILES | ClCCCOc1ccc(cc1)B(O)O |
| Synonyms | (4-(3-chloropropoxy)phenyl)boronic acid,
1182283-83-5,
SCHEMBL2114547,
MFCD28384317,
ZINC203620782,
AM88192,
CS-0059808,
Boronic acid, B-[4-(3-chloropropoxy)phenyl]-,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.452g/mol |
| Monoisotopic Mass | 214.057g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number