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296768-49-5

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Basic Information
CAS No.: 296768-49-5
Name: 5-(4-Methylphenyl)Thiophene-2-boronic acid
Article Data: 2
Molecular Structure:
Molecular Structure of 296768-49-5 (5-(4-Methylphenyl)Thiophene-2-boronic acid)
Formula: C11H11BO2S
Molecular Weight: 218.08
Synonyms: [5-(p-tolyl)-2-thienyl]boronic acid;
Density: 1.259 g/cm3
Boiling Point: 417.914 °C at 760 mmHg
Flash Point: 206.547 °C
PSA: 68.70000
LogP: 1.40330
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Specification

The CAS registry number of 5-(4-Methylphenyl)Thiophene-2-boronic acid is 296768-49-5. The IUPAC name is [5-(p-tolyl)-2-thienyl]boronic acid. In addition, the molecular formula is C11H11BO2S and the molecular weight is 218.08. It should be stored in a cool and dry place.

Physical properties about 5-(4-Methylphenyl)Thiophene-2-boronic acid are: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.503; (4)ACD/LogD (pH 7.4): 3.47; (5)ACD/BCF (pH 5.5): 270.441; (6)ACD/BCF (pH 7.4): 250.877; (7)ACD/KOC (pH 5.5): 1915.846; (8)ACD/KOC (pH 7.4): 1777.253; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 68.7 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 60.759 cm3; (15)Molar Volume: 173.178 cm3; (16)Polarizability: 24.087 ×10-24cm3; (17)Surface Tension: 52.839 dyne/cm; (18)Density: 1.259 g/cm3; (19)Flash Point: 206.547 °C; (20)Enthalpy of Vaporization: 70.783 kJ/mol; (21)Boiling Point: 417.914 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(s1)c2ccc(cc2)C)(O)O
(2)InChI: InChI=1/C11H11BO2S/c1-8-2-4-9(5-3-8)10-6-7-11(15-10)12(13)14/h2-7,13-14H,1H3
(3)InChIKey: VIQKTJYFEPBJDG-UHFFFAOYAZ