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CAS No.: | 306935-90-0 |
---|---|
Name: | 2-[4-(4-NITROPHENYL)-1,3-THIAZOL-2-YL]ACETAMIDE |
Molecular Structure: | |
Formula: | C11H9N3O3S |
Molecular Weight: | 263.27 |
Synonyms: | 2-[4-(4-Nitrophenyl)-1,3-thiazol-2-yl]acetamide; |
Density: | 1.439 g/cm3 |
Melting Point: | 202-203 °C |
Boiling Point: | 524.9 °C at 760 mmHg |
Flash Point: | 271.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 130.04000 |
LogP: | 2.96960 |
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The 2-Thiazoleacetamide,4-(4-nitrophenyl)- is an organic compound with the formula C11H9N3O3S. The systematic name of this chemical is 2-[4-(4-Nitrophenyl)-1,3-thiazol-2-yl]acetamide. The CAS registry number of this chemical 306935-90-0. Besides, its molecular weight is 263.27.
The physical properties of 2-Thiazoleacetamide,4-(4-nitrophenyl)- are: (1)ACD/LogP: 1.16; (2)ACD/LogD (pH 5.5): 1.16; (3)ACD/LogD (pH 7.4): 1.16; (4)ACD/BCF (pH 5.5): 4.52; (5)ACD/BCF (pH 7.4): 4.52; (6)ACD/KOC (pH 5.5): 102.41; (7)ACD/KOC (pH 7.4): 102.41; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 107.26 Å2; (12)Index of Refraction: 1.653; (13)Molar Refractivity: 66.98 cm3; (14)Molar Volume: 182.8 cm3; (15)Polarizability: 26.55×10-24 cm3; (16)Surface Tension: 67.4 dyne/cm; (17)Density: 1.439 g/cm3; (18)Flash Point: 271.3 °C; (19)Enthalpy of Vaporization: 79.9 kJ/mol; (20)Boiling Point: 524.9 °C at 760 mmHg; (21)Vapour Pressure: 4.11E-11 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)Cc2nc(c1ccc([N+]([O-])=O)cc1)cs2
(2)InChI: InChI=1/C11H9N3O3S/c12-10(15)5-11-13-9(6-18-11)7-1-3-8(4-2-7)14(16)17/h1-4,6H,5H2,(H2,12,15)
(3)InChIKey: DIRZWLIATNEVTJ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C11H9N3O3S/c12-10(15)5-11-13-9(6-18-11)7-1-3-8(4-2-7)14(16)17/h1-4,6H,5H2,(H2,12,15)
(5)Std. InChIKey: DIRZWLIATNEVTJ-UHFFFAOYSA-N