| CAS Number | 2096331-69-8 |
| Catalog Number | AG01EHBM |
| Chemical Name | 2-Chloro-5-propionylphenylboronic acid |
| IUPAC Name | (2-chloro-5-propanoylphenyl)boronic acid |
| InChI | InChI=1S/C9H10BClO3/c1-2-9(12)6-3-4-8(11)7(5-6)10(13)14/h3-5,13-14H,2H2,1H3 |
| InChI Key | FFRIUDOPHSDOOP-UHFFFAOYSA-N |
| MDL Number | MFCD18311837 |
| Molecular Formula | C9H10BClO3 |
| Molecular Weight | 212.4379 |
| SMILES | CCC(=O)c1ccc(c(c1)B(O)O)Cl |
| Synonyms | 2-CHLORO-5-PROPIONYLPHENYLBORONIC ACID,
2096331-69-8,
(2-Chloro-5-propionylphenyl)boronic acid,
C9H10BClO3,
MFCD18311837,
ZINC169934740,
Y2308,
B-9187,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.436g/mol |
| Monoisotopic Mass | 212.041g/mol |
| Rotatable Bond Count | 3 |
| 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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