| CAS Number | 2096353-44-3 |
| Catalog Number | AG01EHML |
| Chemical Name | 3-(Cyclopropylcarbamoyl)-2-fluorophenylboronic acid |
| IUPAC Name | [3-(cyclopropylcarbamoyl)-2-fluorophenyl]boronic acid |
| InChI | InChI=1S/C10H11BFNO3/c12-9-7(10(14)13-6-4-5-6)2-1-3-8(9)11(15)16/h1-3,6,15-16H,4-5H2,(H,13,14) |
| InChI Key | RPJJVCOYLPAZSB-UHFFFAOYSA-N |
| MDL Number | MFCD22682843 |
| Molecular Formula | C10H11BFNO3 |
| Molecular Weight | 223.0086 |
| SMILES | c1(cccc(c1F)B(O)O)C(=O)NC1CC1 |
| Synonyms | 2096353-44-3,
3-(Cyclopropylcarbamoyl)-2-fluorobenenzeboronic acid,
(3-(Cyclopropylcarbamoyl)-2-fluorophenyl)boronic acid,
3-(CYCLOPROPYLCARBAMOYL)-2-FLUOROPHENYLBORONIC ACID,
MFCD22682843,
AKOS027373002,
ZINC169747247,
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| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.01g/mol |
| Monoisotopic Mass | 223.082g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number