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CAS No.: | 26488-93-7 |
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Name: | N-(5-chloro-2-hydroxyphenyl)acetamide |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C8H8ClNO2 |
Molecular Weight: | 185.61 |
Synonyms: | 5'-Chloro-2'-hydroxyacetanilide;2-Acetamido-4-chlorophenol;N-(5-Chloro-2-hydroxyphenyl)acetamide;NSC26186;4-Chloro-2-acetamidophenol;2-Acetylamino-4-chlorophenol;Acetanilide,5'-chloro-2'-hydroxy- (8CI);acetamide, N-(5-chloro-2-hydroxyphenyl)-;N-(5-Chloro-2-hydroxyphenyl)acetamide; |
EINECS: | 247-736-0 |
Density: | 1.397 g/cm3 |
Melting Point: | 182-184°C |
Boiling Point: | 366.99 °C at 760 mmHg |
Flash Point: | 175.749 °C |
PSA: | 49.33000 |
LogP: | 2.07700 |
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The Acetamide,N-(5-chloro-2-hydroxyphenyl)-, with the CAS registry number 26488-93-7 and EINECS registry number 247-736-0, has the systematic name and IUPAC name of N-(5-chloro-2-hydroxyphenyl)acetamide. And the molecular formula of the chemical is C8H8ClNO2.
The characteristics of Acetamide,N-(5-chloro-2-hydroxyphenyl)- are as followings: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.54; (6)ACD/BCF (pH 7.4): 13.17; (7)ACD/KOC (pH 5.5): 224.69; (8)ACD/KOC (pH 7.4): 218.59; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 47.3 cm3; (15)Molar Volume: 132.8 cm3; (16)Polarizability: 18.75×10-24cm3; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.396 g/cm3; (19)Flash Point: 175.7 °C; (20)Enthalpy of Vaporization: 63.76 kJ/mol; (21)Boiling Point: 367 °C at 760 mmHg; (22)Vapour Pressure: 6.67E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(NC(=O)C)c(O)cc1
(2)InChI: InChI=1/C8H8ClNO2/c1-5(11)10-7-4-6(9)2-3-8(7)12/h2-4,12H,1H3,(H,10,11)
(3)InChIKey: HGDAFIJKXCFHPG-UHFFFAOYAV