| CAS Number | 861710-03-4 |
| Catalog Number | AG00H0D7(AGN-PC-0WOJLZ) |
| Chemical Name | 4-CYANO-3,5-DIFLUOROPHENYLBORONIC ACID |
| IUPAC Name | (4-cyano-3,5-difluorophenyl)boronic acid |
| InChI | InChI=1S/C7H4BF2NO2/c9-6-1-4(8(12)13)2-7(10)5(6)3-11/h1-2,12-13H |
| InChI Key | YKYMGFVDWOIHJH-UHFFFAOYSA-N |
| MDL Number | MFCD07644470 |
| Molecular Formula | C7H4BF2NO2 |
| Molecular Weight | 182.9200 |
| SMILES | N#Cc1c(F)cc(cc1F)B(O)O |
| Synonyms | 861710-03-4,
4-cyano-3,5-difluorophenylboronic acid,
(4-cyano-3,5-difluorophenyl)boronic acid,
Boronic acid, B-(4-cyano-3,5-difluorophenyl)-,
SCHEMBL1317903,
YKYMGFVDWOIHJH-UHFFFAOYSA-N,
MFCD07644470,
AKOS006285867,
ZINC169994796,
BC001750,
Z0907,
Q-8803,
C7H4BF2NO2,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.921g/mol |
| Monoisotopic Mass | 183.03g/mol |
| Rotatable Bond Count | 1 |
| 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