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CAS No.: | 14293-50-6 |
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Name: | 4-Chloro-2-methoxy-5-sulfamoylbenzoic acid |
Molecular Structure: | |
Formula: | C8H8ClNO5S |
Molecular Weight: | 265.66 |
Synonyms: | Salicylicacid, 4-chloro-5-sulfamoyl-, methyl ester (8CI); |
Density: | 1.592 g/cm3 |
Melting Point: | 240-245 °C |
Boiling Point: | 509.257 °C at 760 mmHg |
Flash Point: | 261.789 °C |
Appearance: | white crystal powder |
PSA: | 115.07000 |
LogP: | 2.47530 |
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The Benzoic acid,5-(aminosulfonyl)-4-chloro-2-hydroxy-, methyl ester, with the CAS registry number 14293-50-6, is also known as 2-Methoxy-4-chloro benzoic acid-5-sulfonamide. This chemical's molecular formula is C8H8ClNO5S and molecular weight is 265.6708. Its systematic name is called 4-chloro-2-methoxy-5-sulfamoylbenzoic acid.
Physical properties of Benzoic acid,5-(aminosulfonyl)-4-chloro-2-hydroxy-, methyl ester: (1)ACD/LogP: 0.60; (2)ACD/LogD (pH 5.5): -1; (3)ACD/LogD (pH 7.4): -2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.594; (12)Molar Refractivity: 56.659 cm3; (13)Molar Volume: 166.864 cm3; (14)Surface Tension: 62.524 dyne/cm; (15)Density: 1.592 g/cm3; (16)Flash Point: 261.789 °C; (17)Enthalpy of Vaporization: 82.103 kJ/mol; (18)Boiling Point: 509.257 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cc(c(OC)cc1Cl)C(=O)O)N
(2)InChI: InChI=1/C8H8ClNO5S/c1-15-6-3-5(9)7(16(10,13)14)2-4(6)8(11)12/h2-3H,1H3,(H,11,12)(H2,10,13,14)
(3)InChIKey: LMXUPTBLYNTETM-UHFFFAOYAA