| CAS Number | 2096330-82-2 |
| Catalog Number | AG01EHO1 |
| Chemical Name | 5-Butyryl-2-chlorophenylboronic acid |
| IUPAC Name | (5-butanoyl-2-chlorophenyl)boronic acid |
| InChI | InChI=1S/C10H12BClO3/c1-2-3-10(13)7-4-5-9(12)8(6-7)11(14)15/h4-6,14-15H,2-3H2,1H3 |
| InChI Key | ZLBSPVXBBYSRJS-UHFFFAOYSA-N |
| MDL Number | MFCD18311838 |
| Molecular Formula | C10H12BClO3 |
| Molecular Weight | 226.4645 |
| SMILES | CCCC(=O)c1ccc(c(c1)B(O)O)Cl |
| Synonyms | 5-BUTYRYL-2-CHLOROPHENYLBORONIC ACID,
2096330-82-2,
(5-Butyryl-2-chlorophenyl)boronic acid,
MFCD18311838,
AKOS027348385,
ZINC169934744,
Y2815,
B-9189,
C10H12BClO3,
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| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.463g/mol |
| Monoisotopic Mass | 226.057g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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