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N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide

N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide

CAS: 885069-14-7

Formula: C15H19BN2O3S

SMILES: CC(=O)NC1=NC2=CC=C(C=C2S1)B1OC(C)(C)C(C)(C)O1

IUPAC: N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide

InChI: InChI=1S/C15H19BN2O3S/c1-9(19)17-13-18-11-7-6-10(8-12(11)22-13)16-20-14(2,3)15(4,5)21-16/h6-8H,1-5H3,(H,17,18,19)

Composition: C (56.62%), H (6.02%), B (3.40%), N (8.80%), O (15.08%), S (10.08%)

Molar Mass: 318.2

Atom Count: 41

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 318.120944
Formal Charge 0
FSP3 0.47
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey CBVRCXVIFJCOJK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.12
Topological Polar Surface Area 60.45
Polarizability 34.19
Ring Count 3
Rotatable Bond Count 2

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