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4-fluoro-3-(morpholine-4-sulfonyl)phenylboronic acid

4-fluoro-3-(morpholine-4-sulfonyl)phenylboronic acid

Formula: C10H13BFNO5S

SMILES: OB(O)C1=CC(=C(F)C=C1)S(=O)(=O)N1CCOCC1

IUPAC: [4-fluoro-3-(morpholine-4-sulfonyl)phenyl]boronic acid

InChI: InChI=1S/C10H13BFNO5S/c12-9-2-1-8(11(14)15)7-10(9)19(16,17)13-3-5-18-6-4-13/h1-2,7,14-15H,3-6H2

Composition: C (41.55%), H (4.53%), B (3.74%), F (6.57%), N (4.85%), O (27.67%), S (11.09%)

Molar Mass: 289.08

Atom Count: 32

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 289.059152
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey CQLKRRBTZFILPW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.85
Topological Polar Surface Area 87.07
Polarizability 26
Ring Count 2
Rotatable Bond Count 2

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97% <7 Days C10H13BFNO5S $250.58-$1,424.01$250.58$590.92$1,424.01
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