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199590-75-5

Basic Information
CAS No.: 199590-75-5
Name: Benzenesulfonamide, 5-chloro-2-methoxy-4-methyl-
Molecular Structure:
Molecular Structure of 199590-75-5 (Benzenesulfonamide, 5-chloro-2-methoxy-4-methyl-)
Formula: C8H10ClNO3S
Molecular Weight: 235.69
Synonyms: 5-Chloro-2-methoxy-p-toluenesulfonamide;
EINECS:
Density: 1.381 g/cm3
Melting Point: 173-175°C
Boiling Point: 410.7 °C at 760 mmHg
Flash Point: 202.2 °C
Solubility:
Appearance:
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
">  Xi:;
Safety:
Transport Information:
PSA: 77.77000
LogP: 3.08550
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Specification

The CAS registry number of Benzenesulfonamide, 5-chloro-2-methoxy-4-methyl- is 199590-75-5. This chemical is also named as 5-Chloro-2-methoxy-p-toluenesulfonamide. In addition, its molecular formula is C8H10ClNO3S and molecular weight is 235.69. Its systematic name is called 5-chloro-2-methoxy-4-methylbenzenesulfonamide. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzenesulfonamide, 5-chloro-2-methoxy-4-methyl- are: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 12.74; (6)ACD/BCF (pH 7.4): 12.7; (7)ACD/KOC (pH 5.5): 215.1; (8)ACD/KOC (pH 7.4): 214.41; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.558; (13)Molar Refractivity: 55 cm3; (14)Molar Volume: 170.6 cm3; (15)Surface Tension: 47.1 dyne/cm; (16)Density: 1.381 g/cm3; (17)Flash Point: 202.2 °C; (18)Enthalpy of Vaporization: 66.31 kJ/mol; (19)Boiling Point: 410.7 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(OC)c(cc1Cl)S(N)(=O)=O
(2)InChI: InChI=1/C8H10ClNO3S/c1-5-3-7(13-2)8(4-6(5)9)14(10,11)12/h3-4H,1-2H3,(H2,10,11,12)
(3)InChIKey: VQHIRMCXZNAVRG-UHFFFAOYAF