| CAS Number | 2096333-41-2 |
| Catalog Number | AG019EVC |
| Chemical Name | (2-Fluoro-5-((4-nitrophenyl)carbamoyl)phenyl)boronic acid |
| IUPAC Name | [2-fluoro-5-[(4-nitrophenyl)carbamoyl]phenyl]boronic acid |
| InChI | InChI=1S/C13H10BFN2O5/c15-12-6-1-8(7-11(12)14(19)20)13(18)16-9-2-4-10(5-3-9)17(21)22/h1-7,19-20H,(H,16,18) |
| InChI Key | YFGKLRLOISCGBR-UHFFFAOYSA-N |
| MDL Number | MFCD20265386 |
| Molecular Formula | C13H10BFN2O5 |
| Molecular Weight | 304.0383 |
| SMILES | O=C(c1ccc(c(c1)B(O)O)F)Nc1ccc(cc1)[N+](=O)[O-] |
| Synonyms | 2-Fluoro-5-(4-nitrophenylcarbamoyl)benzeneboronic acid,
(2-Fluoro-5-((4-nitrophenyl)carbamoyl)phenyl)boronic acid,
2096333-41-2,
{2-fluoro-5-[(4-nitrophenyl)carbamoyl]phenyl}boronic acid,
MFCD20265386,
AKOS030528529,
ZINC169744445,
ACN-043257,
AS-55737,
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| Complexity | 412 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.04g/mol |
| Monoisotopic Mass | 304.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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