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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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You are here: Experimental > One molecule all properties |
INChI | INChIKey | SMILES | IUPAC name |
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InChI=1S/CH2ClI/c2-1-3/h1H2 | PJGJQVRXEUVAFT-UHFFFAOYSA-N | ClCI |
State | Conformation |
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1A' | CS |
Property | Value | Uncertainty | units | Reference | Comment |
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