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The Groebke–Blackburn–Bienaymé reaction in its maturity: innovation and improvements since its 21st birthday (2019–2023)

Cristina Martini, Muhammad Idham Darussalam Mardjan and Andrea Basso

Beilstein J. Org. Chem. 2024, 20, 1839–1879. https://doi.org/10.3762/bjoc.20.162

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Chemical structure C<sub>7</sub>H<sub>7</sub>N<sub>3</sub>

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Extracted from

Scheme 36

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₇H₇N₃
Molecular Weight	133.15 g/mol
Exact Mass	133.0640 Da
InChI	InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)
InChIKey	JWYUFVNJZUSCSM-UHFFFAOYSA-N
SMILES	C1=CC2=C(C=C1)N=C(N)N2
Number of Atoms	17
Number of H-Bond Acceptors	3
Number of H-Bond Donors	2
Atoms in the Largest π-System	10
XLogP	0.4

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