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5-Chloro-2-(1H-Tetrazol-1-Yl)Benzoic Acid
[CAS# 449758-26-3]

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Identification
Name 5-Chloro-2-(1H-Tetrazol-1-Yl)Benzoic Acid
Synonyms 1-(2-Carboxy-4-chlorophenyl)-1H-tetrazole; 5-chloro-2-(1H-tetraazol-1-yl)benzoic acid; 5-CHLORO-2-(1H-TETRAZOL-1-YL)BENZOICACID
Molecular Formula C8H5ClN4O2
Molecular Weight 224.60
CAS Registry Number 449758-26-3
SMILES Clc1cc(c(cc1)n2nnnc2)C(=O)O
InChI 1S/C8H5ClN4O2/c9-5-1-2-7(6(3-5)8(14)15)13-4-10-11-12-13/h1-4H,(H,14,15)
InChIKey OSXJGDGNJRHIKP-UHFFFAOYSA-N
Properties
Density 1.686g/cm3 (Cal.)
Boiling point 440.533°C at 760 mmHg (Cal.)
Flash point 220.227°C (Cal.)
Refractive index 1.74 (Cal.)
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