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Cloransulam

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Name

Cloransulam

EINECS N/A
CAS No. 159518-97-5 Density 1.77g/cm3
PSA 144.16000 LogP 2.96830
Solubility N/A Melting Point N/A
Formula C14H11ClFN5O5S Boiling Point N/A
Molecular Weight 415.784 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 159518-97-5 (3-Chloro-2-[[(5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonyl]amino]benzoic acid) Hazard Symbols N/A
Synonyms

Cloransulam;XDE 565;

 

Cloransulam 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)

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