Methyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate (91076-93-6)

The Methyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate with cas registry number of 91076-93-6 has  an appearance of white to light yellow crystal powder. Both its systematic name and IUPAC name are the same which is called methyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate. This chemical can be classified in several categories including Esters; Thiophenes & Benzothiophenes.

The physical properties about this chemical are: (1)ACD/LogP: 4.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.09; (4)ACD/LogD (pH 7.4): 4.09; (5)ACD/BCF (pH 5.5): 759.19; (6)ACD/BCF (pH 7.4): 759.26; (7)ACD/KOC (pH 5.5): 4011.86; (8)ACD/KOC (pH 7.4): 4012.22; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.633; (13)Molar Refractivity: 70.13 cm³; (14)Molar Volume: 196.3 cm³; (15)Surface Tension: 53.2 dyne/cm; (16)Density: 1.363 g/cm³; (17)Flash Point: 235.5 °C; (18)Enthalpy of Vaporization: 72.75 kJ/mol; (19)Boiling Point: 465.9 °C at 760 mmHg; (20)Vapour Pressure: 7.43E-09 mmHg at 25°C ; (21)Melting point: 140-141 °C.

When you are using this chemical, please be cautious about it as the following:
During using it, avoid contact with skin and eyes and do not breathe dust, because this chemical is harmful by inhalation, in contact with skin and if swallowed and irritating to eyes, respiratory system and skin. It is better to wear suitable protective clothing, gloves and eye/face protection. In case of 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: O=C(OC)c2sc(c1ccc(Cl)cc1)cc2N;
(2)InChI: InChI=1/C12H10ClNO2S/c1-16-12(15)11-9(14)6-10(17-11)7-2-4-8(13)5-3-7/h2-6H,14H2,1H3;
(3)InChIKey: MELGGDOYSMRBGA-UHFFFAOYAL