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3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

CAS: 1111637-95-6

Formula: C14H19BN2O2

SMILES: CC1=CNC2=NC=C(C=C12)B1OC(C)(C)C(C)(C)O1

IUPAC: 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

InChI: InChI=1S/C14H19BN2O2/c1-9-7-16-12-11(9)6-10(8-17-12)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H,16,17)

Composition: C (65.14%), H (7.42%), B (4.19%), N (10.85%), O (12.40%)

Molar Mass: 258.13

Atom Count: 38

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 258.153958
Formal Charge 0
FSP3 0.5
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey VFFLHDCFYJJJEQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.64
Topological Polar Surface Area 47.14
Polarizability 29.42
Ring Count 3
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 1111637-95-6 $219.41-$2,260.97$219.41$365.69$511.97$754.08$2,260.97
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