92-70-6 Purity
technical
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Specification
The molecular formula of the compound is C7H4Cl2N4.
The molecular weight of the compound is 215.04 g/mol.
The IUPAC name of the compound is 5-(3,5-dichlorophenyl)-2H-tetrazole.
The InChI of the compound is InChI=1S/C7H4Cl2N4/c8-5-1-4(2-6(9)3-5)7-10-12-13-11-7/h1-3H,(H,10,11,12,13).
The InChIKey of the compound is VCYMSAGOTYBIHM-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=C(C=C(C=C1Cl)Cl)C2=NNN=N2.
The CAS number of the compound is 92712-49-7.
The XLogP3-AA value of the compound is 2.4.
The compound has 1 hydrogen bond donor count.
The compound has 3 hydrogen bond acceptor counts.