CAS
925233-23-4 Purity
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925233-23-4 Purity
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The molecular formula is C10H12ClNO2.
The molecular weight is 213.66 g/mol.
The IUPAC name is 1-(2-chloro-3-hydroxyphenyl)pyrrolidin-3-ol.
The InChI is InChI=1S/C10H12ClNO2/c11-10-8(2-1-3-9(10)14)12-5-4-7(13)6-12/h1-3,7,13-14H,4-6H2.
The InChIKey is SXOZZVSGGDJHNG-UHFFFAOYSA-N.
The canonical SMILES is C1CN(CC1O)C2=C(C(=CC=C2)O)Cl.
The XLogP3-AA value is 1.8.
It has 2 hydrogen bond donor counts.
It has 3 hydrogen bond acceptor counts.
It has 1 rotatable bond count.