| CAS Number | 1375109-01-5 |
| Catalog Number | AG009WUD(AGN-PC-0WA6KJ) |
| Chemical Name | 2-Cyano-5-fluorophenylboronic acid |
| IUPAC Name | (2-cyano-5-fluorophenyl)boronic acid |
| InChI | InChI=1S/C7H5BFNO2/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-3,11-12H |
| InChI Key | CAMKHMHTUOCLPU-UHFFFAOYSA-N |
| MDL Number | MFCD18394078 |
| Molecular Formula | C7H5BFNO2 |
| Molecular Weight | 164.9295 |
| SMILES | FC1=CC=C(C#N)C(B(O)O)=C1 |
| Synonyms | 2-CYANO-5-FLUOROPHENYLBORONIC ACID,
1375109-01-5,
(2-Cyano-5-fluorophenyl)boronic acid,
SCHEMBL16052048,
KM3746,
AKOS025293575,
ZINC169988640,
V2774,
C7H5BFNO2,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.93g/mol |
| Monoisotopic Mass | 165.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number