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186551-47-3

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Basic Information
CAS No.: 186551-47-3
Name: 3'-METHYL-BIPHENYL-4-SULFONYL CHLORIDE
Molecular Structure:
Molecular Structure of 186551-47-3 (3'-METHYL-BIPHENYL-4-SULFONYL CHLORIDE)
Formula: C13H11ClO2S
Molecular Weight: 266.74
Synonyms: 3-METHYL-BIPHENYL-4-SULFONYL CHLORIDE;3-METHYL[1,1-BIPHENYL]-4-SULFONYL CHLORIDE;[1,1-BIPHENYL]-4-SULFONYL CHLORIDE, 3-METHYL-
Density: 1.284 g/cm3
Melting Point: 69-73℃
Boiling Point: 380.778 °C at 760 mmHg
Flash Point: 184.088 °C
PSA: 42.52000
LogP: 4.67030
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Specification

This chemical is called 3'-Methylbiphenyl-4-sulfonyl chloride, and its systematic name is 266.74. With the molecular formula of C13H11ClO2S, its molecular weight is 266.74. The CAS registry number of this chemical is 186551-47-3.

Other characteristics of the 3'-Methylbiphenyl-4-sulfonyl chloride can be summarised as followings: (1)ACD/LogP: 3.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 2038; (6)ACD/BCF (pH 7.4): 2038; (7)ACD/KOC (pH 5.5): 8133; (8)ACD/KOC (pH 7.4): 8133; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.52 Å2; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 69.73 cm3; (15)Molar Volume: 207.649 cm3; (16)Polarizability: 27.643×10-24cm3; (17)Surface Tension: 43.252 dyne/cm; (18)Density: 1.285 g/cm3; (19)Flash Point: 184.088 °C; (20)Enthalpy of Vaporization: 60.433 kJ/mol; (21)Boiling Point: 380.778 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: ClS(=O)(=O)c1ccc(cc1)c2cccc(c2)C
2.InChI: InChI=1/C13H11ClO2S/c1-10-3-2-4-12(9-10)11-5-7-13(8-6-11)17(14,15)16/h2-9H,1H3
3.InChIKey: OHVJVSGIYVAZFD-UHFFFAOYAB