Name: 2,6-Difluoro-3-(propylsulfonaMido)benzoic acid
SKU: 1103234-56-5

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Basic Information

Molecular Structure:
CAS No.:	1103234-56-5
Name:	2,6-Difluoro-3-(propylsulfonaMido)benzoic acid
Article Data:	21

Formula:	C₁₀H₁₁F₂NO₄S
Molecular Weight:	279.264
Synonyms:	2,6-Difluoro-3-[[(propan-1-yl)sulfonyl]amino]benzoic acid;
EINECS:	700-740-0
Density:	1.519 g/cm³
Melting Point:	205～208℃
Boiling Point:	394.521 °C at 760 mmHg
Flash Point:	192.4 °C
PSA:	91.85000
LogP:	2.96850

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Specification

The 2,6-Difluoro-3-(propylsulfonamido)benzoic acid, with the CAS registry number 1103234-56-5, is also known as 2,6-Difluoro-3-[[(propan-1-yl)sulfonyl]amino]benzoic acid. This chemical's molecular formula is C₁₀H₁₁F₂NO₄S and molecular weight is 279.26. What's more, its systematic name is 2,6-Difluoro-3-(propylsulfonylamino)benzoic acid.

Physical properties of 2,6-Difluoro-3-(propylsulfonamido)benzoic acid are: (1)ACD/LogP: 1.513; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1.00; (4)ACD/BCF (pH 7.4): 1.00; (5)ACD/KOC (pH 5.5): 1.00; (6)ACD/KOC (pH 7.4): 1.00; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 91.85 Å²; (11)Index of Refraction: 1.562; (12)Molar Refractivity: 59.612 cm³; (13)Molar Volume: 183.885 cm³; (14)Polarizability: 23.632×10^-24cm³; (15)Surface Tension: 57.017 dyne/cm; (16)Density: 1.519 g/cm³; (17)Flash Point: 192.4 °C; (18)Enthalpy of Vaporization: 67.978 kJ/mol; (19)Boiling Point: 394.521 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)O)F
(2)Std. InChI: InChI=1S/C10H11F2NO4S/c1-2-5-18(16,17)13-7-4-3-6(11)8(9(7)12)10(14)15/h3-4,13H,2,5H2,1H3,(H,14,15)
(3)Std. InChIKey: RTAWCKGXCGSFJI-UHFFFAOYSA-N

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