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CAS No.: | 182133-35-3 |
---|---|
Name: | 6-Methoxybenzo[b]thiophene-2-boronic acid |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C9H9BO3S |
Molecular Weight: | 208.046 |
Synonyms: | (6-Methoxy-1-benzothiophen-2-yl)boronic acid; |
Density: | 1.354 g/cm3 |
Boiling Point: | 423.068 °C at 760 mmHg |
Flash Point: | 209.664 °C |
PSA: | 77.93000 |
LogP: | 0.58970 |
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The 6-Methoxybenzo[b]thiophene-2-boronic acid has the CAS registry number 182133-35-3. This chemical's molecular formula is C9H9BO3S and molecular weight is 208.04. What's more, its systematic name is (6-Methoxy-1-benzothiophen-2-yl)boronic acid.
Physical properties of 6-Methoxybenzo[b]thiophene-2-boronic acid are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 353; (6)ACD/BCF (pH 7.4): 135; (7)ACD/KOC (pH 5.5): 2304; (8)ACD/KOC (pH 7.4): 881; (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: 55.352 cm3; (15)Molar Volume: 153.601 cm3; (16)Polarizability: 21.943×10-24 cm3; (17)Surface Tension: 55.953 dyne/cm; (18)Density: 1.354 g/cm3; (19)Flash Point: 209.664 °C; (20)Enthalpy of Vaporization: 71.407 kJ/mol; (21)Boiling Point: 423.068 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c2sc1cc(OC)ccc1c2
(2)InChI: InChI=1S/C9H9BO3S/c1-13-7-3-2-6-4-9(10(11)12)14-8(6)5-7/h2-5,11-12H,1H3
(3)InChIKey: PNRDOYJXKKKYSU-UHFFFAOYSA-N