3,5-Difluoro-4-morpholinophenylboronic Acid Pinacol Ester - CAS 1313738-69-0
Catalog: |
BB007307 |
Product Name: |
3,5-Difluoro-4-morpholinophenylboronic Acid Pinacol Ester |
CAS: |
1313738-69-0 |
Synonyms: |
4-[2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine; 4-[2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine |
IUPAC Name: | 4-[2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine |
Description: | 3,5-Difluoro-4-morpholinophenylboronic Acid Pinacol Ester (CAS# 1313738-69-0) is a useful research chemical. |
Molecular Weight: | 325.16 |
Molecular Formula: | C16H22F2NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)F)N3CCOCC3)F |
InChI: | InChI=1S/C16H22BF2NO3/c1-15(2)16(3,4)23-17(22-15)11-9-12(18)14(13(19)10-11)20-5-7-21-8-6-20/h9-10H,5-8H2,1-4H3 |
InChI Key: | DXHKMVVLQQJTIM-UHFFFAOYSA-N |
MDL: | MFCD18375252 |
LogP: | 2.16560 |
Complexity: | 404 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 325.1660801 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 325.1660801 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 30.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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