| CAS Number | 2096339-75-0 |
| Catalog Number | AG01EHNS |
| Chemical Name | 2-(1-Cyanocyclopropyl)phenylboronic acid |
| IUPAC Name | [2-(1-cyanocyclopropyl)phenyl]boronic acid |
| InChI | InChI=1S/C10H10BNO2/c12-7-10(5-6-10)8-3-1-2-4-9(8)11(13)14/h1-4,13-14H,5-6H2 |
| InChI Key | LJLHVKBSVFKUBB-UHFFFAOYSA-N |
| MDL Number | MFCD18914495 |
| Molecular Formula | C10H10BNO2 |
| Molecular Weight | 187.0029 |
| SMILES | B(C1=CC=CC=C1C2(CC2)C#N)(O)O |
| Synonyms | 2-(1-Cyanocyclopropyl)phenylboronic acid,
2096339-75-0,
(2-(1-Cyanocyclopropyl)phenyl)boronic acid,
MFCD18914495,
ZINC169951570,
Y2132,
C10H10BNO2,
A-3002,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.005g/mol |
| Monoisotopic Mass | 187.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number