| CAS Number | 2096998-21-7 |
| Catalog Number | AG01EHNH |
| Chemical Name | 4-(1-Carboxycyclopropyl)-2-fluorophenylboronic acid pinacol ester |
| IUPAC Name | 1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C16H20BFO4/c1-14(2)15(3,4)22-17(21-14)11-6-5-10(9-12(11)18)16(7-8-16)13(19)20/h5-6,9H,7-8H2,1-4H3,(H,19,20) |
| InChI Key | LHIZEFZZPHIOAV-UHFFFAOYSA-N |
| MDL Number | MFCD22192535 |
| Molecular Formula | C16H20BFO4 |
| Molecular Weight | 306.1370 |
| SMILES | O=C(C1(C2=CC=C(B3OC(C)(C)C(C)(C)O3)C(F)=C2)CC1)O |
| Synonyms | 2096998-21-7,
4-(1-Carboxycyclopropyl)-2-fluorophenylboronic acid pinacol ester,
1-[3-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylic acid,
1-(3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarboxylic acid,
MFCD22192535,
ZINC169978492,
W2865,
B-9163,
C16H20BFO4,
N/A,
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| Complexity | 459 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.144g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.14g/mol |
| Monoisotopic Mass | 306.144g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number