936-70-9 Purity
98%
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The PubChem CID of (4-Chloro-3-hydroxyphenyl)acetonitrile is 55267733.
The molecular formula of (4-Chloro-3-hydroxyphenyl)acetonitrile is C8H6ClNO.
The synonyms of (4-Chloro-3-hydroxyphenyl)acetonitrile are 936727-34-3, SCHEMBL1464835, AUSPPXLBZOTTKB-UHFFFAOYSA-N, AKOS006313967, and others.
The molecular weight of (4-Chloro-3-hydroxyphenyl)acetonitrile is 167.59 g/mol.
The IUPAC name of (4-Chloro-3-hydroxyphenyl)acetonitrile is 2-(4-chloro-3-hydroxyphenyl)acetonitrile.
The InChI of (4-Chloro-3-hydroxyphenyl)acetonitrile is InChI=1S/C8H6ClNO/c9-7-2-1-6(3-4-10)5-8(7)11/h1-2,5,11H,3H2.
The InChIKey of (4-Chloro-3-hydroxyphenyl)acetonitrile is AUSPPXLBZOTTKB-UHFFFAOYSA-N.
The canonical SMILES of (4-Chloro-3-hydroxyphenyl)acetonitrile is C1=CC(=C(C=C1CC#N)O)Cl.
The XLogP3-AA value of (4-Chloro-3-hydroxyphenyl)acetonitrile is 1.8.
Yes, (4-Chloro-3-hydroxyphenyl)acetonitrile is considered as a canonicalized compound.