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[1,1'-Biphenyl]-4-sulfonylchloride, 3'-methoxy-

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Name

[1,1'-Biphenyl]-4-sulfonylchloride, 3'-methoxy-

EINECS N/A
CAS No. 186550-26-5 Density 1.313 g/cm3
PSA 51.75000 LogP 4.37050
Solubility N/A Melting Point 80-84℃
Formula C13H11ClO3S Boiling Point 402.968 °C at 760 mmHg
Molecular Weight 282.748 Flash Point 197.508 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 186550-26-5 (3'-METHOXY-BIPHENYL-4-SULFONYL CHLORIDE) Hazard Symbols N/A
Synonyms

[1,1-BIPHENYL]-4-SULFONYL CHLORIDE, 3-METHOXY-;3-METHOXY[1,1-BIPHENYL]-4-SULFONYL CHLORIDE;3-METHOXY-BIPHENYL-4-SULFONYL CHLORIDE

Article Data 1

[1,1'-Biphenyl]-4-sulfonylchloride, 3'-methoxy- Specification

This chemical is called 3'-Methoxybiphenyl-4-sulfonyl chloride, and its CAS registry number is 186550-26-5. With the molecular formula of C13H11ClO3S, its molecular weight is 282.74.

Other characteristics of the 3'-Methoxybiphenyl-4-sulfonyl chloride can be summarised as followings: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 604; (6)ACD/BCF (pH 7.4): 604; (7)ACD/KOC (pH 5.5): 3407; (8)ACD/KOC (pH 7.4): 3407; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 51.75 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 71.472 cm3; (15)Molar Volume: 215.376 cm3; (16)Polarizability: 28.334×10-24cm3; (17)Surface Tension: 43.418 dyne/cm; (18)Density: 1.313 g/cm3; (19)Flash Point: 197.508 °C; (20)Enthalpy of Vaporization: 62.872 kJ/mol; (21)Boiling Point: 402.968 °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)c2ccc(c1cc(OC)ccc1)cc2
2.InChI: InChI=1/C13H11ClO3S/c1-17-12-4-2-3-11(9-12)10-5-7-13(8-6-10)18(14,15)16/h2-9H,1H3
3.InChIKey: DVQBUJTYQXKLKZ-UHFFFAOYAV

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