CAS
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Specification
The molecular formula is C10H8ClNO2S.
The molecular weight is 241.69 g/mol.
The IUPAC name is 5-aminonaphthalene-1-sulfonyl chloride.
The InChi is InChI=1S/C10H8ClNO2S/c11-15(13,14)10-6-2-3-7-8(10)4-1-5-9(7)12/h1-6H,12H2.
The InChiKey is HNBHMACNYOOUKK-UHFFFAOYSA-N.
The canonical SMILES is C1=CC2=C(C=CC=C2S(=O)(=O)Cl)C(=C1)N.
The XLogP3 value is 2.7.
It has 1 hydrogen bond donor count.
It has 3 hydrogen bond acceptor count.
The topological polar surface area is 68.5Ų.