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CAS Number: 151899-62-6
3-iodo-1-trityl-1H-1,2,4-triazole

Structure

3-iodo-1-trityl-1H-1,2,4-triazole
Name: 3-iodo-1-trityl-1H-1,2,4-triazole
Synonyms:
General Information
Product Number: 151899626
CAS Registry Number: 151899-62-6
Name:
        1H-​1,​2,​4-​Triazole, 3-​iodo-​1-​(triphenylmethyl)​-
 
Chemical Formula: C21H16IN3
Exact Mass: 437.04
Molecular Weight: 437.28
m/z: 437.04 (100.0%), 438.04 (23.8%), 439.05 (2.5%)
Elemental Analysis: C, 57.68; H, 3.69; I, 29.02; N, 9.61
 
InChI: InChI=1S/C21H16IN3/c22-20-23-16-25(24-20)21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H
InChIKey: QHQHALMULRXBKM-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=NC(=N4)I

Specification

98%

References

PCT Int. Appl. (2013), WO 2013111796 A1 20130801.

PCT Int. Appl. (2010), WO 2010017048 A1 20100211.  

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