CAS
115372-36-6 Purity
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115372-36-6 Purity
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Specification
The molecular formula is C8H10ClNO.
The molecular weight is 171.62 g/mol.
The IUPAC name is (3-chloro-4-methoxyphenyl)methanamine.
The InChI is InChI=1S/C8H10ClNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,5,10H2,1H3.
The InChIKey is OCNMSDZALRAYEX-UHFFFAOYSA-N.
The canonical SMILES is COC1=C(C=C(C=C1)CN)Cl.
The CAS number is 115514-77-7.
The EC number is 673-312-3.
The XLogP3 value is 1.2.
Yes, 3-Chloro-4-methoxybenzenemethanamine is a canonicalized compound.