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ethyl 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate

ethyl 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate

CAS: 1257213-52-7

Formula: C18H25BO4

SMILES: CCOC(=O)C1(CC1)C1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: ethyl 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate

InChI: InChI=1S/C18H25BO4/c1-6-21-15(20)18(11-12-18)13-7-9-14(10-8-13)19-22-16(2,3)17(4,5)23-19/h7-10H,6,11-12H2,1-5H3

Composition: C (68.37%), H (7.97%), B (3.42%), O (20.24%)

Molar Mass: 316.2

Atom Count: 48

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 316.184589
Formal Charge 0
FSP3 0.61
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey ZYSWTQGHMDIKPH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 83.81
Topological Polar Surface Area 44.76
Polarizability 35.08
Ring Count 3
Rotatable Bond Count 5

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