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methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxylate

methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxylate

CAS: 919363-25-0

Formula: C18H21BO4

SMILES: COC(=O)C1=CC=CC2=CC(=CC=C12)B1OC(C)(C)C(C)(C)O1

IUPAC: methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxylate

InChI: InChI=1S/C18H21BO4/c1-17(2)18(3,4)23-19(22-17)13-9-10-14-12(11-13)7-6-8-15(14)16(20)21-5/h6-11H,1-5H3

Composition: C (69.26%), H (6.78%), B (3.46%), O (20.50%)

Molar Mass: 312.17

Atom Count: 44

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 312.153289
Formal Charge 0
FSP3 0.39
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey LTXKCMSLPBJJJO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 84.19
Topological Polar Surface Area 44.76
Polarizability 35.94
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 919363-25-0 $227.70-$917.70$227.70$457.70$917.70
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