5-CHLORO-4-METHOXYTHIOPHENE-3-CARBOXYLIC ACID

The 3-Thiophenecarboxylicacid, 5-chloro-4-methoxy-, with CAS registry number 133659-14-0, has the systematic name of 5-chloro-4-methoxythiophene-3-carboxylic acid. Its molecular weight is 192.62. And the chemical formula of this chemical is C₆H₅ClO₃S.

Physical properties of 3-Thiophenecarboxylicacid, 5-chloro-4-methoxy-: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.3; (4)ACD/LogD (pH 7.4): -0.94; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.21; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 63.77 Å²; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 43.14 cm³; (15)Molar Volume: 127.3 cm³; (16)Polarizability: 17.1×10^-24cm³; (17)Surface Tension: 53.8 dyne/cm; (18)Density: 1.511 g/cm³; (19)Flash Point: 141 °C; (20)Enthalpy of Vaporization: 58.11 kJ/mol; (21)Boiling Point: 309.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000273 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 3-Thiophenecarboxylicacid, 5-chloro-4-methoxy- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1scc(C(=O)O)c1OC
(2)InChI: InChI=1/C6H5ClO3S/c1-10-4-3(6(8)9)2-11-5(4)7/h2H,1H3,(H,8,9)
(3)InChIKey: CEOFOUVVEMMYDW-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C6H5ClO3S/c1-10-4-3(6(8)9)2-11-5(4)7/h2H,1H3,(H,8,9)
(5)Std. InChIKey: CEOFOUVVEMMYDW-UHFFFAOYSA-N