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

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

Formula: C19H27BO4

SMILES: COC(=O)C1(CCCC1)C1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1

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

InChI: InChI=1S/C19H27BO4/c1-17(2)18(3,4)24-20(23-17)15-10-8-14(9-11-15)19(16(21)22-5)12-6-7-13-19/h8-11H,6-7,12-13H2,1-5H3

Composition: C (69.11%), H (8.24%), B (3.27%), O (19.38%)

Molar Mass: 330.23

Atom Count: 51

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 330.200239
Formal Charge 0
FSP3 0.63
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey PWMFCOKSVFXDID-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 88.27
Topological Polar Surface Area 44.76
Polarizability 36.92
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
97% <7 Days C19H27BO4 $465.63-$3,934.48$465.63$1,175.30$3,934.48
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