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ethyl 2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]acetate

ethyl 2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]acetate

CAS: 1620318-41-3

Formula: C14H21BO4S

SMILES: CCOC(=O)CC1=CC=C(S1)B1OC(C)(C)C(C)(C)O1

IUPAC: ethyl 2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]acetate

InChI: InChI=1S/C14H21BO4S/c1-6-17-12(16)9-10-7-8-11(20-10)15-18-13(2,3)14(4,5)19-15/h7-8H,6,9H2,1-5H3

Composition: C (56.77%), H (7.15%), B (3.65%), O (21.61%), S (10.82%)

Molar Mass: 296.19

Atom Count: 41

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 296.12536
Formal Charge 0
FSP3 0.64
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey QFDKZHPJLDBLKP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.59
Topological Polar Surface Area 44.76
Polarizability 30.82
Ring Count 2
Rotatable Bond Count 5

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