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methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate

methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate

Formula: C16H20BNO4

SMILES: COC(=O)C1=CC2=CC(=CC=C2N1)B1OC(C)(C)C(C)(C)O1

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

InChI: InChI=1S/C16H20BNO4/c1-15(2)16(3,4)22-17(21-15)11-6-7-12-10(8-11)9-13(18-12)14(19)20-5/h6-9,18H,1-5H3

Composition: C (63.81%), H (6.69%), B (3.59%), N (4.65%), O (21.25%)

Molar Mass: 301.15

Atom Count: 42

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 301.148538
Formal Charge 0
FSP3 0.44
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey WTDMZZXKGOYEEN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.7
Topological Polar Surface Area 60.55
Polarizability 33.64
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
97% <7 Days C16H20BNO4 $303.88-$2,407.63$303.88$771.38$1,238.88$2,407.63
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98% <10 Days C16H20BNO4 Quote Only
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