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Benzenesulfonic acid,5-chloro-4-ethyl-2-hydroxy-

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Name

Benzenesulfonic acid,5-chloro-4-ethyl-2-hydroxy-

EINECS N/A
CAS No. 104207-29-6 Density 1.523 g/cm3
PSA 82.98000 LogP 2.93550
Solubility N/A Melting Point N/A
Formula C8H9ClO4S Boiling Point N/A
Molecular Weight 236.676 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 104207-29-6 (5-CHLORO-4-ETHYL-2-HYDROXYBENZENESULFONIC ACID) Hazard Symbols N/A
Synonyms

2-Sulfo-4-chloro-5-ethylphenol;

 

Benzenesulfonic acid,5-chloro-4-ethyl-2-hydroxy- Specification

The CAS registry number of Benzenesulfonic acid,5-chloro-4-ethyl-2-hydroxy- is 104207-29-6. Its molecular formula is C8H9ClO4S and molecular weight is 236.67. Its systematic name is called 5-chloro-4-ethyl-2-hydroxybenzenesulfonic acid.

Physical properties about Benzenesulfonic acid,5-chloro-4-ethyl-2-hydroxy- are: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.594; (13)Molar Refractivity: 52.713 cm3; (14)Molar Volume: 155.408 cm3; (15)Surface Tension: 59.145 dyne/cm; (16)Density: 1.523 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(O)cc1CC)S(=O)(=O)O
(2)InChI: InChI=1/C8H9ClO4S/c1-2-5-3-7(10)8(4-6(5)9)14(11,12)13/h3-4,10H,2H2,1H3,(H,11,12,13)
(3)InChIKey: MFTBMHRGXBBBOI-UHFFFAOYAI

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