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Specification
The molecular formula is C12H12ClNO2S.
The synonyms are 5-(ethylamino)naphthalene-1-sulfonyl chloride, 728864-90-2, 5-(ethylamino)naphthalene-1-sulfonylchloride, 5-ethylamino-naphthalene-1-sulfonyl chloride, AldrichCPR.
The molecular weight is 269.75 g/mol.
The IUPAC name is 5-(ethylamino)naphthalene-1-sulfonyl chloride.
The InChI is InChI=1S/C12H12ClNO2S/c1-2-14-11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8,14H,2H2,1H3.
The InChIKey is MDDPWGITFUVITF-UHFFFAOYSA-N.
The canonical SMILES is CCNC1=CC=CC2=C1C=CC=C2S(=O)(=O)Cl.
The XLogP3-AA value is 3.5.
It has 1 hydrogen bond donor count.
It has 3 rotatable bond counts.