CAS No.55202-11-4,6-Acetamino-2,4-dichloro-3-methylphenol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	55202-11-4
Name:	6-Acetamino-2,4-dichloro-3-methylphenol

Formula:	C₉H₉Cl₂NO₂
Molecular Weight:	234.082
Synonyms:	2-Acetamido-4,6-dichloro-5-methylphenol;6-Acetamino-2,4-dichloro-3-methylphenol;
Density:	1.452 g/cm³
Boiling Point:	366.9 °C at 760 mmHg
Flash Point:	175.7 °C
PSA:	49.33000
LogP:	3.03880

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Specification

The systematic name of 6-Acetamino-2,4-dichloro-3-methylphenol is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)acetamide. With the CAS registry number 55202-11-4, it is also named as Acetamide,N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-. In addition, its molecular formula is C₉H₉Cl₂NO₂ and molecular weight is 234.08.

The other characteristics of 6-Acetamino-2,4-dichloro-3-methylphenol can be summarized as: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.94; (4)ACD/LogD (pH 7.4): 2.72; (5)ACD/BCF (pH 5.5): 101.68; (6)ACD/BCF (pH 7.4): 61.1; (7)ACD/KOC (pH 5.5): 949.18; (8)ACD/KOC (pH 7.4): 570.36; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.33 Å²; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 57.02 cm³; (15)Molar Volume: 161.1 cm³; (16)Polarizability: 22.6×10^-24cm³; (17)Surface Tension: 53.3 dyne/cm; (18)Density: 1.452 g/cm³; (19)Flash Point: 175.7 °C; (20)Enthalpy of Vaporization: 63.75 kJ/mol; (21)Boiling Point: 366.9 °C at 760 mmHg; (22)Vapour Pressure: 6.71E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Oc1c(NC(C)=O)cc(Cl)c(C)c1Cl
(2)InChI: InChI=1/C9H9Cl2NO2/c1-4-6(10)3-7(12-5(2)13)9(14)8(4)11/h3,14H,1-2H3,(H,12,13)
(3)InChIKey: XWRFOWUTIDNAEO-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C9H9Cl2NO2/c1-4-6(10)3-7(12-5(2)13)9(14)8(4)11/h3,14H,1-2H3,(H,12,13)
(5)Std. InChIKey: XWRFOWUTIDNAEO-UHFFFAOYSA-N