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[4-(1,1-dioxo-1??,2-thiazolidin-2-yl)phenyl]boronic acid

[4-(1,1-dioxo-1??,2-thiazolidin-2-yl)phenyl]boronic acid

CAS: 1778667-07-4

Formula: C9H12BNO4S

SMILES: OB(O)C1=CC=C(C=C1)N1CCCS1(=O)=O

IUPAC: [4-(1,1-dioxo-1??,2-thiazolidin-2-yl)phenyl]boronic acid

InChI: InChI=1S/C9H12BNO4S/c12-10(13)8-2-4-9(5-3-8)11-6-1-7-16(11,14)15/h2-5,12-13H,1,6-7H2

Composition: C (44.84%), H (5.02%), B (4.48%), N (5.81%), O (26.55%), S (13.30%)

Molar Mass: 241.07

Atom Count: 28

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 241.058009
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey DJRFEMBBOLGQFX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.2
Topological Polar Surface Area 77.84
Polarizability 23.68
Ring Count 2
Rotatable Bond Count 2

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97% <7 Days 1778667-07-4 $156.15-$888.25$156.15$303.88$888.25
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