5-Aminomethyl-4-2luorophenylboronic acid, pinacol ester - CAS 1544673-68-8
Catalog: |
BB074678 |
Product Name: |
5-Aminomethyl-4-2luorophenylboronic acid, pinacol ester |
CAS: |
1544673-68-8 |
Synonyms: |
5-Aminomethyl-4-2luorophenylboronic acid, pinacol ester; (4-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanamine; [4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine; [4-FLUORO-3-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]METHANAMINE |
IUPAC Name: | [4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine |
Description: | 5-Aminomethyl-4-2luorophenylboronic acid, pinacol ester |
Molecular Weight: | 251.1 |
Molecular Formula: | C13H19BFNO2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)CN)F |
InChI: | InChI=1S/C13H19BFNO2/c1-12(2)13(3,4)18-14(17-12)10-7-9(8-16)5-6-11(10)15/h5-7H,8,16H2,1-4H3 |
InChI Key: | HKWBJTGBUPLUPW-UHFFFAOYSA-N |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.1492872 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.1492872 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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