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6-Nitro-1,3-Benzothiazole-2-Carboxylic Acid
[CAS# 131123-99-4]

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Identification
Name 6-Nitro-1,3-Benzothiazole-2-Carboxylic Acid
Synonyms 6-nitrobenzo[d]thiazole-2-carboxylic acid
Molecular Structure CAS#: 131123-99-4, 6-Nitro-1,3-Benzothiazole-2-Carboxylic Acid
Molecular Formula C8H4N2O4S
Molecular Weight 224.19
CAS Registry Number 131123-99-4
SMILES c1cc2c(cc1[N+](=O)[O-])sc(n2)C(=O)O
InChI 1S/C8H4N2O4S/c11-8(12)7-9-5-2-1-4(10(13)14)3-6(5)15-7/h1-3H,(H,11,12)
InChIKey UFXVPVVGWNZWOU-UHFFFAOYSA-N
Properties
Density 1.716g/cm3 (Cal.)
Boiling point 478.808°C at 760 mmHg (Cal.)
Flash point 243.375°C (Cal.)
Refractive index 1.766 (Cal.)
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