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2-fluoro-4-methanesulfonylphenylboronic acid

2-fluoro-4-methanesulfonylphenylboronic acid

CAS: 957060-85-4

Formula: C7H8BFO4S

SMILES: CS(=O)(=O)C1=CC=C(B(O)O)C(F)=C1

IUPAC: (2-fluoro-4-methanesulfonylphenyl)boronic acid

InChI: InChI=1S/C7H8BFO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4,10-11H,1H3

Composition: C (38.57%), H (3.70%), B (4.96%), F (8.71%), O (29.36%), S (14.71%)

Molar Mass: 218.01

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 218.022038
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey VTSHDQJNJIIHGS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.82
Topological Polar Surface Area 74.6
Polarizability 19.33
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 957060-85-4 $68.09-$1,144.99$68.09$80.70$261.03$1,144.99
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