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

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

CAS: 1198096-23-9

Formula: C14H19BN2O2

SMILES: CC1=CN=C2NC=C(B3OC(C)(C)C(C)(C)O3)C2=C1

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

InChI: InChI=1S/C14H19BN2O2/c1-9-6-10-11(8-17-12(10)16-7-9)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 VVQUQQDNKMKSCI-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
95% <6 Days 1198096-23-9 $952.20-$2,691.00$952.20$2,691.00
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