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Specification
The molecular formula of 3-Chloro-4-isopropoxyaniline is C9H12ClNO.
The molecular weight of 3-Chloro-4-isopropoxyaniline is 185.65 g/mol.
3-Chloro-4-isopropoxyaniline was created in PubChem on April 30, 2006.
The IUPAC name of 3-Chloro-4-isopropoxyaniline is 3-chloro-4-propan-2-yloxyaniline.
The InChI of 3-Chloro-4-isopropoxyaniline is "InChI=1S/C9H12ClNO/c1-6(2)12-9-4-3-7(11)5-8(9)10/h3-6H,11H2,1-2H3".
The InChIKey of 3-Chloro-4-isopropoxyaniline is "YXBDJALKYPUAFT-UHFFFAOYSA-N".
The canonical SMILES of 3-Chloro-4-isopropoxyaniline is "CC(C)OC1=C(C=C(C=C1)N)Cl".
The CAS number of 3-Chloro-4-isopropoxyaniline is 5211-04-1.
The XLogP3 value of 3-Chloro-4-isopropoxyaniline is 2.8.
Yes, 3-Chloro-4-isopropoxyaniline is a canonicalized compound in PubChem.