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315702-87-5

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Basic Information
CAS No.: 315702-87-5
Name: 3-(4-PYRIDIN-2-YL-THIAZOL-2-YLAMINO)-BENZOIC ACID
Molecular Structure:
Molecular Structure of 315702-87-5 (3-(4-PYRIDIN-2-YL-THIAZOL-2-YLAMINO)-BENZOIC ACID)
Formula: C15H11N3O2S
Molecular Weight: 297.33
Synonyms: 3-(4-PYRIDIN-2-YL-THIAZOL-2-YLAMINO)-BENZOIC ACID;3-(4-PYRIDIN-2-YL-THIAZOL-2-YLAMINO)BENZOIC ACID 98%
Boiling Point: 546.7 °C at 760 mmHg
Flash Point: 284.4 °C
Hazard Symbols: IrritantXi
PSA: 103.35000
LogP: 3.71990
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Specification

The CAS register number of 3-[(4-Pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoate is 315702-87-5. The IUPAC name about this chemical is 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoate. The molecular formula about this chemical is C15H11N3O2S and the molecular weight is 297.33. It belongs to the Pharmacetical.

Physical properties about 3-[(4-Pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoate are: (1)ACD/LogP: 2.77; (2)ACD/LogD (pH 5.5): 1.45; (3)ACD/BCF (pH 5.5): 3.56; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 36.4; (6)ACD/KOC (pH 7.4): 1.02; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 97.39Å2; (11)Flash Point: 284.4 °C; (12)Enthalpy of Vaporization: 86.91 kJ/mol; (13)Boiling Point: 546.7 °C at 760 mmHg; (14)Vapour Pressure: 8.76E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)c1cc(ccc1)Nc2nc(cs2)c3ncccc3
(2)InChI: InChI=1/C15H11N3O2S/c19-14(20)10-4-3-5-11(8-10)17-15-18-13(9-21-15)12-6-1-2-7-16-12/h1-9H,(H,17,18)(H,19,20)/p-1
(3)InChIKey: AHNQVGWWBKRTON-REWHXWOFAA
(4)Std. InChI: InChI=1S/C15H11N3O2S/c19-14(20)10-4-3-5-11(8-10)17-15-18-13(9-21-15)12-6-1-2-7-16-12/h1-9H,(H,17,18)(H,19,20)/p-1
(5)Std. InChIKey: AHNQVGWWBKRTON-UHFFFAOYSA-M