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72531-23-8

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Basic Information
CAS No.: 72531-23-8
Name: 1-(4-Amino-3-chloro-phenyl)-ethanone
Article Data: 5
Molecular Structure:
Molecular Structure of 72531-23-8 (1-(4-Amino-3-chloro-phenyl)-ethanone)
Formula: C8H8ClNO
Molecular Weight: 169.611
Synonyms: 1-(4-Amino-2-chlorophenyl)ethanonato;4'-Amino-2'-chloroacetophenone;
Density: 1.254 g/cm3
Boiling Point: 304.1 °C at 760 mmHg
Flash Point: 137.7 °C
PSA: 43.09000
LogP: 2.70600
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Specification

The Ethanone,1-(4-amino-2-chlorophenyl)-, with the CAS registry number 72531-23-8, is also known as 4'-Amino-2'-chloroacetophenone. This chemical's molecular formula is C8H8ClNO and molecular weight is 169.61. What's more, its IUPAC name and systematic name are the same which is called 1-(4-Amino-2-chlorophenyl)ethanonato.

Physical properties about Ethanone,1-(4-amino-2-chlorophenyl)-: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): 1.12; (5)ACD/BCF (pH 5.5): 4.16; (6)ACD/BCF (pH 7.4): 4.16; (7)ACD/KOC (pH 5.5): 96.61; (8)ACD/KOC (pH 7.4): 96.61; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.09 Å2; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 45.41 cm3; (15)Molar Volume: 135.1 cm3; (16)Surface Tension: 47 dyne/cm; (17)Density: 1.254 g/cm3; (18)Flash Point: 137.7 °C; (19)Enthalpy of Vaporization: 54.44 kJ/mol; (20)Boiling Point: 304.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000894 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(C)c1ccc(N)cc1Cl
(2) InChI: InChI=1/C8H8ClNO/c1-5(11)7-3-2-6(10)4-8(7)9/h2-4H,10H2,1H3
(3) InChIKey: SFWDKRVMIBKYQK-UHFFFAOYAW