CAS
--- Purity
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--- Purity
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Specification
The molecular formula is C7H8ClNO.
The molecular weight is 157.60 g/mol.
The IUPAC name is 3-amino-2-chloro-6-methylphenol.
The structure is CC1=C(C(=C(C=C1)N)Cl)O.
The Canonical SMILES is CC1=C(C(=C(C=C1)N)Cl)O.
The InChIKey is XYRDGCCCBJITBH-UHFFFAOYSA-N.
It has 2 hydrogen bond donor counts.
The XLogP3-AA value is 1.9.
The topological polar surface area is 46.2Ų.
Yes, it is a canonicalized compound.