CAS
14150-94-8 Purity
97%
14150-94-8 Purity
97%
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Specification
The molecular formula is C13H11ClN2O.
The molecular weight is 246.69 g/mol.
The IUPAC name is 2-amino-10H-acridin-9-one;hydrochloride.
The InChI is InChI=1S/C13H10N2O.ClH/c14-8-5-6-12-10(7-8)13(16)9-3-1-2-4-11(9)15-12;/h1-7H,14H2,(H,15,16);1H.
The InChIKey is AARHWXRIFFJKLG-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C2C(=C1)C(=O)C3=C(N2)C=CC(=C3)N.Cl.
The CAS number is 727388-68-3.
The hydrogen bond donor count is 3.
The hydrogen bond acceptor count is 3.
Yes, it is canonicalized.