2-[(8-Chloromethylnaphthalen-1-yl)thio]acetic acid
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![2-[(8-Chloromethylnaphthalen-1-yl)thio]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1d100f41dae14d459fe6aed1a38f566f.png "2-[(8-Chloromethylnaphthalen-1-yl)thio]acetic acid")
2-[(8-Chloromethylnaphthalen-1-yl)thio]acetic acid
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CAS No:
64059-42-3
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Formula:
C13H11ClO2S
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Chemical Name:
2-[(8-Chloromethylnaphthalen-1-yl)thio]acetic acid
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Synonyms:
2-(8-Chloromethyl-1-naphthylthio)acetic acid;ACETIC ACID, 2-(8-CHLOROMETHYL-1-NAPHTHYLTHIO)-;Kyselina S-(8-chlormethyl-1-naftyl)thioglykolova [Czech];Kyselina S-(8-chlormethyl-1-naftyl)thioglykolova;DTXSID50214251;LS-11309;2-[(8-Chloromethylnaphthalen-1-yl)thio]acetic acid
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CAS No:
Characteristics
62.6
3.7
1.2939 (estimate)
Oral-rat LD50: 2500 mg/kg
Combustible, decomposes toxic chloride and sulfur oxide gas when burning
Computed Properties
Molecular Weight:266.74
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:266.0168285
Monoisotopic Mass:266.0168285
Topological Polar Surface Area:62.6
Heavy Atom Count:17
Complexity:272
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-[(8-Chloromethylnaphthalen-1-yl)thio]acetic acid
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