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2-(2-Phenyl-1,3-Benzothiazol-5-Yl)Acetic Acid
[CAS# 36774-74-0]

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Identification
Name 2-(2-Phenyl-1,3-Benzothiazol-5-Yl)Acetic Acid
Synonyms 2-(2-Phenyl-1,3-Benzothiazol-5-Yl)Ethanoic Acid; 2-Phenyl-5-Benzothiazoleacetic Acid; 2-Phenyl-5-Benzothiazolylessigsaeure [German]
Molecular Structure CAS#: 36774-74-0, 2-(2-Phenyl-1,3-Benzothiazol-5-Yl)Acetic Acid
Molecular Formula C15H11NO2S
Molecular Weight 269.32
CAS Registry Number 36774-74-0
SMILES C1=C(C=CC2=C1N=C(S2)C3=CC=CC=C3)CC(O)=O
InChI 1S/C15H11NO2S/c17-14(18)9-10-6-7-13-12(8-10)16-15(19-13)11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)
InChIKey CGJFGPQHBSLGOO-UHFFFAOYSA-N
Properties
Density 1.354g/cm3 (Cal.)
Boiling point 485.521°C at 760 mmHg (Cal.)
Flash point 247.434°C (Cal.)
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