Name: 3-Chloro-2-[[(5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonyl]amino]benzoic acid
SKU: 159518-97-5

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Basic Information

Molecular Structure:
CAS No.:	159518-97-5
Name:	3-Chloro-2-[[(5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonyl]amino]benzoic acid

Formula:	C₁₄H₁₁ClFN₅O₅S
Molecular Weight:	415.784
Synonyms:	Cloransulam;XDE 565;
Density:	1.77g/cm³
PSA:	144.16000
LogP:	2.96830

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Specification

The cas register number of Cloransulam is 159518-97-5. It also can be called as Acide 3-chloro-2-{[(5-éthoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonyl]amino}benzoïque and the Systematic name about this chemical is 3-chloro-2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]benzoic acid.

Physical properties about Cloransulam are: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 10; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12) Polar Surface Area: 144.16 ?2; (13)Index of Refraction: 1.72; (14)Molar Refractivity: 92.724 cm³; (15)Molar Volume: 234.703 cm³; (16)Surface Tension: 69.155 dyne/cm; (17)Density: 1.772 g/cm³.

People can use the following data to convert to the molecule structure.
1.SMILES: OC(=O)c3cccc(Cl)c3NS(=O)(=O)c1nc2cc(F)nc(OCC)n2n1
2.InChI: InChI=1/C14H11ClFN5O5S/c1-2-26-14-17-9(16)6-10-18-13(19-21(10)14)27(24,25)20-11-7(12(22)23)4-3-5-8(11)15/h3-6,20H,2H2,1H3,(H,22,23)
3.InChIKey: YIANBKOBVRMNPR-UHFFFAOYAZ
4.Std. InChI: InChI=1S/C14H11ClFN5O5S/c1-2-26-14-17-9(16)6-10-18-13(19-21(10)14)27(24,25)20-11-7(12(22)23)4-3-5-8(11)15/h3-6,20H,2H2,1H3,(H,22,23)