92093-23-7 Purity
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Specification
The molecular formula of the compound is C17H24ClN3Si.
The molecular weight of the compound is 333.9 g/mol.
The IUPAC name of the compound is 4-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carbonitrile.
The InChI of the compound is InChI=1S/C17H24ClN3Si/c1-11(2)22(12(3)4,13(5)6)21-8-7-15-16(18)14(9-19)10-20-17(15)21/h7-8,10-13H,1-6H3.
The InChIKey of the compound is VEOCFQKNEORRRO-UHFFFAOYSA-N.
The canonical SMILES of the compound is CC(C)[Si](C(C)C)(C(C)C)N1C=CC2=C(C(=CN=C21)C#N)Cl.
The hydrogen bond donor count of the compound is 0.
The hydrogen bond acceptor count of the compound is 2.
The compound has 4 rotatable bonds.
Yes, the compound is canonicalized.