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2-(Cyanomethyl)-1,3-Benzothiazole-5-Carboxylic Acid
[CAS# 224947-53-9]

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Identification
Name 2-(Cyanomethyl)-1,3-Benzothiazole-5-Carboxylic Acid
Synonyms 2-(cyanomethyl)benzo[d]thiazole-5-carboxylic acid
Molecular Structure CAS#: 224947-53-9, 2-(Cyanomethyl)-1,3-Benzothiazole-5-Carboxylic Acid
Molecular Formula C10H6N2O2S
Molecular Weight 218.23
CAS Registry Number 224947-53-9
SMILES OC(=O)c1cc2nc(CC#N)sc2cc1
InChI 1S/C10H6N2O2S/c11-4-3-9-12-7-5-6(10(13)14)1-2-8(7)15-9/h1-2,5H,3H2,(H,13,14)
InChIKey HQNOIUJPIYLKJS-UHFFFAOYSA-N
Properties
Density 1.505g/cm3 (Cal.)
Boiling point 473.341°C at 760 mmHg (Cal.)
Flash point 240.068°C (Cal.)
Refractive index 1.715 (Cal.)
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