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Basic Information
CAS No.: 6953-83-9
Name: 1-(4-AMINO-3-CHLORO-PHENYL)-ETHANONE
Article Data: 9
Molecular Structure:
Molecular Structure of 6953-83-9 (1-(4-AMINO-3-CHLORO-PHENYL)-ETHANONE)
Formula: C8H8ClNO
Molecular Weight: 169.611
Synonyms: Acetophenone,4'-amino-3'-chloro- (5CI);3'-Chloro-4'-aminoacetophenone;4-Amino-3-chloroacetophenone;NSC 39777;
Density: 1.254 g/cm3
Boiling Point: 324.6 °C at 760 mmHg
Flash Point: 150.1 °C
PSA: 43.09000
LogP: 2.70600
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Specification

The Ethanone,1-(4-amino-3-chlorophenyl)-, with the CAS registry number 6953-83-9, is also known as 4-Amino-3-chloroacetophenone. It belongs to the product category of Pharmacetical. 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-3-chlorophenyl)ethanone.

Physical properties about Ethanone,1-(4-amino-3-chlorophenyl)-: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 20.31 Å2; (7)Index of Refraction: 1.586; (8)Molar Refractivity: 45.41 cm3; (9)Molar Volume: 135.1 cm3; (10)Surface Tension: 47 dyne/cm; (11)Density: 1.254 g/cm3; (12)Flash Point: 150.1 °C; (13)Enthalpy of Vaporization: 56.66 kJ/mol; (14)Boiling Point: 324.6 °C at 760 mmHg; (15)Vapour Pressure: 0.000243 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(C(=O)C)ccc1N
(2) InChI: InChI=1/C8H8ClNO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H,10H2,1H3
(3) InChIKey: VGVXDPRCTIRHOO-UHFFFAOYAC