| CAS Number | 2096331-00-7 |
| Catalog Number | AG01EHKY |
| Chemical Name | 2-Fluoro-3-(methylcarbamoyl)phenylboronic acid |
| IUPAC Name | [2-fluoro-3-(methylcarbamoyl)phenyl]boronic acid |
| InChI | InChI=1S/C8H9BFNO3/c1-11-8(12)5-3-2-4-6(7(5)10)9(13)14/h2-4,13-14H,1H3,(H,11,12) |
| InChI Key | YAILSJPZRGIKHD-UHFFFAOYSA-N |
| MDL Number | MFCD28098710 |
| Molecular Formula | C8H9BFNO3 |
| Molecular Weight | 196.9714 |
| SMILES | FC1=C(C=CC=C1C(NC)=O)B(O)O |
| Synonyms | 2096331-00-7,
(2-Fluoro-3-(methylcarbamoyl)phenyl)boronic acid,
2-FLUORO-3-(METHYLCARBAMOYL)PHENYLBORONIC ACID,
MFCD28098710,
AKOS027361731,
ZINC169747368,
2-Fluoro-3-(methylcarbamoyl)benzeneboronic acid,
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| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.972g/mol |
| Monoisotopic Mass | 197.066g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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