4-(Boc-amino)-2-fluorophenylboronic Acid Pinacol Ester - CAS 1256256-45-7
Catalog: |
BB061851 |
Product Name: |
4-(Boc-amino)-2-fluorophenylboronic Acid Pinacol Ester |
CAS: |
1256256-45-7 |
Synonyms: |
tert-Butyl (3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate; 4-(BOC-Amino)-2-fluorophenylboronic acid pinacol ester; (4-((TERT-BUTOXYCARBONYL)AMINO)-2-FLUOROPHENYL)BORONIC ACID PINACOL ESTER; tert-butyl N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate |
IUPAC Name: | tert-butyl N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate |
Description: | 4-(Boc-amino)-2-fluorophenylboronic Acid Pinacol Ester |
Molecular Weight: | 337.19 |
Molecular Formula: | C17H25BFNO4 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)NC(=O)OC(C)(C)C)F |
InChI: | InChI=1S/C17H25BFNO4/c1-15(2,3)22-14(21)20-11-8-9-12(13(19)10-11)18-23-16(4,5)17(6,7)24-18/h8-10H,1-7H3,(H,20,21) |
InChI Key: | FALNYBWTRBHWID-UHFFFAOYSA-N |
Complexity: | 462 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 337.1860666 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 337.1860666 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 56.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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