| CAS Number | 1460307-63-4 |
| Catalog Number | AG00HXH2(AGN-PC-0WQZ6D) |
| Chemical Name | [3-(Cyanomethyl)-5-fluorophenyl]boronic acid |
| IUPAC Name | [3-(cyanomethyl)-5-fluorophenyl]boronic acid |
| InChI | InChI=1S/C8H7BFNO2/c10-8-4-6(1-2-11)3-7(5-8)9(12)13/h3-5,12-13H,1H2 |
| InChI Key | GUYJMBDNASHBAR-UHFFFAOYSA-N |
| MDL Number | MFCD27935531 |
| Molecular Formula | C8H7BFNO2 |
| Molecular Weight | 178.9561 |
| SMILES | C(#N)CC=1C=C(C=C(C1)F)B(O)O |
| Synonyms | 1460307-63-4,
[3-(Cyanomethyl)-5-fluorophenyl]boronic acid,
(3-(Cyanomethyl)-5-fluorophenyl)boronic acid,
ZINC170000939,
PS-9769,
3-(Cyanomethyl)-5-fluorobenzeneboronic 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 | 179.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.957g/mol |
| Monoisotopic Mass | 179.055g/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