5-(tert-Butoxycarbonyl)-4-chloro-2-fluorophenylboronic Acid Pinacol Ester - CAS 1218789-89-9
Catalog: |
BB005276 |
Product Name: |
5-(tert-Butoxycarbonyl)-4-chloro-2-fluorophenylboronic Acid Pinacol Ester |
CAS: |
1218789-89-9 |
Synonyms: |
2-chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid tert-butyl ester; tert-butyl 2-chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
IUPAC Name: | tert-butyl 2-chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
Description: | 5-(tert-Butoxycarbonyl)-4-chloro-2-fluorophenylboronic Acid Pinacol Ester (CAS# 1218789-89-9) is a useful research chemical. |
Molecular Weight: | 356.62 |
Molecular Formula: | C17H23ClFO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2F)Cl)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C17H23BClFO4/c1-15(2,3)22-14(21)10-8-11(13(20)9-12(10)19)18-23-16(4,5)17(6,7)24-18/h8-9H,1-7H3 |
InChI Key: | KKEQMRLGGIYNDL-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD12913981 |
LogP: | 3.73360 |
Complexity: | 476 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 356.1361952 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 356.1361952 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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