CAS No.1685-19-4,Ethanone,1-(2-amino-5-chlorophenyl)- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1685-19-4
Name:	Ethanone,1-(2-amino-5-chlorophenyl)-
Article Data:	31

Formula:	C₈H₈ClNO
Molecular Weight:	169.611
Synonyms:	1-(2-Amino-5-chlorophenyl)ethanone;2-Amino-5-chloroacetophenone;2'-Amino-5'-chloroacetophenone;Acetophenone,2'-amino-5'-chloro- (7CI,8CI);
Density:	1.255 g/cm³
Melting Point:	65-66 °C
Boiling Point:	305.14 °C at 760 mmHg
Flash Point:	138.344 °C
PSA:	43.09000
LogP:	2.70600

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Specification

The Ethanone,1-(2-amino-5-chlorophenyl)-, with the CAS registry number 1685-19-4, is also known as 2'-Amino-5'-chloroacetophenone. This chemical's molecular formula is C₈H₈ClNO and molecular weight is 169.6082. What's more, its IUPAC name and systematic name are the same which is called 1-(2-Amino-5-chlorophenyl)ethanone.

Physical properties about Ethanone,1-(2-amino-5-chlorophenyl)-: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 65; (6)ACD/BCF (pH 7.4): 65; (7)ACD/KOC (pH 5.5): 692; (8)ACD/KOC (pH 7.4): 692; (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: 1.587; (14)Molar Refractivity: 45.412 cm³; (15)Molar Volume: 135.195 cm³; (16)Surface Tension: 47.093 dyne/cm; (17)Density: 1.255 g/cm³; (18)Flash Point: 138.344 °C; (19)Enthalpy of Vaporization: 54.556 kJ/mol; (20)Boiling Point: 305.14 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Nc1ccc(Cl)cc1C(C)=O
(2) InChI: InChI=1/C8H8ClNO/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,10H2,1H3
(3) InChIKey: AQBCDAORSNHFNR-UHFFFAOYAN