CAS No.193965-30-9,5-Methoxybenzo[b]thiophene-2-boronic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	193965-30-9
Name:	5-Methoxybenzo[b]thiophene-2-boronic acid
Article Data:	4

Formula:	C₉H₉BO₃S
Molecular Weight:	208.046
Synonyms:	Boronic acid, B-(5-methoxybenzo[b]thien-2-yl)-;
Density:	1.35 g/cm³
Boiling Point:	423.1 °C at 760 mmHg
Flash Point:	209.7 °C
PSA:	77.93000
LogP:	0.58970

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Specification

The 5-Methoxybenzo[b]thiophene-2-boronic acid, with the CAS registry number 193965-30-9, is also known as Boronic acid, B-(5-methoxybenzo[b]thien-2-yl)-. This chemical's molecular formula is C₉H₉BO₃S and molecular weight is 208.042. What's more, its systematic name is (5-Methoxy-1-benzothiophen-2-yl)boronic acid.

Physical properties about 5-Methoxybenzo[b]thiophene-2-boronic acid are: (1)ACD/LogP: 3.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.65; (4)ACD/LogD (pH 7.4): 3.02; (5)ACD/BCF (pH 5.5): 345.39; (6)ACD/BCF (pH 7.4): 82.14; (7)ACD/KOC (pH 5.5): 2256.2; (8)ACD/KOC (pH 7.4): 536.59; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 77.93 Å²; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 55.35 cm³; (15)Molar Volume: 153.6 cm³; (16)Polarizability: 21.94×10^-24cm³; (17)Surface Tension: 55.9 dyne/cm; (18)Density: 1.35 g/cm³; (19)Flash Point: 209.7 °C; (20)Enthalpy of Vaporization: 71.41 kJ/mol; (21)Boiling Point: 423.1 °C at 760 mmHg; (22)Vapour Pressure: 6.51E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c1cc2cc(ccc2s1)OC
(2) InChI: InChI=1/C9H9BO3S/c1-13-7-2-3-8-6(4-7)5-9(14-8)10(11)12/h2-5,11-12H,1H3
(3) InChIKey: BRFCKEBJRUMDHY-UHFFFAOYAV