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Home >> Chemical Listing >> Page 116 >> 4-Nitro-1,3-Benzothiazol-2(3H)-One

4-Nitro-1,3-Benzothiazol-2(3H)-One
[CAS# 109493-09-6]

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Identification
Name 4-Nitro-1,3-Benzothiazol-2(3H)-One
Synonyms 2(3H)-Benzothiazolone,4-nitro-; 4-nitrobenzo[d]thiazol-2(3H)-one
Molecular Structure CAS#: 109493-09-6, 4-Nitro-1,3-Benzothiazol-2(3H)-One
Molecular Formula C7H4N2O3S
Molecular Weight 196.18
CAS Registry Number 109493-09-6
SMILES c1cc(c2c(c1)sc(=O)[nH]2)[N+](=O)[O-]
InChI 1S/C7H4N2O3S/c10-7-8-6-4(9(11)12)2-1-3-5(6)13-7/h1-3H,(H,8,10)
InChIKey BVWPBZOQMMWEDL-UHFFFAOYSA-N
Properties
Density 1.603g/cm3 (Cal.)
Refractive index 1.702 (Cal.)
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