124-30-1 Purity
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Specification
Molecular formula: C6H5ClIN
Molecular weight: 253.47 g/mol
Synonyms: Benzenamine, 3-chloro-4-iodo-; 3-chloro-4-iodobenzenamine
Created: 2005-03-26
InChIKey: ONZHMGRKWJMTDE-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1N)Cl)I
CAS number: 135050-44-1
XLogP3-AA value: 2.5
Hydrogen bond donor count: 1
Yes, the compound is canonicalized.
Reference: [1] Synlett, 2012, # 2, p. 208 - 214
Reference: [1] Synthesis, 1998, # 11, p. 1599 - 1603
Reference: [1]Journal of the Chemical Society,1951,p. 1774,1778
Reference: [1]Patent: DE1803084,1969,
Reference: [1]Organic Letters,2006,vol. 8,p. 2043 - 2045
* For details of the synthesis route, please refer to the original source to ensure accuracy.