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2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1??,2-thiazolidine-1,1-dione

2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1??,2-thiazolidine-1,1-dione

CAS: 756520-72-6

Formula: C15H22BNO4S

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(C=C1)N1CCCS1(=O)=O

IUPAC: 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1??,2-thiazolidine-1,1-dione

InChI: InChI=1S/C15H22BNO4S/c1-14(2)15(3,4)21-16(20-14)12-6-8-13(9-7-12)17-10-5-11-22(17,18)19/h6-9H,5,10-11H2,1-4H3

Composition: C (55.74%), H (6.86%), B (3.34%), N (4.33%), O (19.80%), S (9.92%)

Molar Mass: 323.21

Atom Count: 44

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 323.136259
Formal Charge 0
FSP3 0.6
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey PYVUDSAMLHAQCJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.31
Topological Polar Surface Area 55.84
Polarizability 34.11
Ring Count 3
Rotatable Bond Count 2

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