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4638-79-3

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Basic Information
CAS No.: 4638-79-3
Name: 2-Chloroacetophenone
Article Data: 17
Molecular Structure:
Molecular Structure of 4638-79-3 (2-Chloroacetophenone)
Formula: C7H8ClO
Molecular Weight: 154.596
Synonyms: Acetaldehyde,chlorophenyl- (6CI,7CI,8CI);2-Chloro-2-phenylethanal;Chlorophenylacetaldehyde;a-Chloro-a-phenylacetaldehyde;a-Chlorophenylacetaldehyde;2-Chloro-1-phenylethanonato;2-Chloroacetophenone;a-Chloroacetophenone;ethanone, 2-chloro-1-phenyl-;
Density: 1.168 g/cm3
Boiling Point: 244.5 °C at 760 mmHg
Flash Point: 104.8 °C
PSA: 17.07000
LogP: 2.10810
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Specification

The Benzeneacetaldehyde, a-chloro-, with the CAS registry number 4638-79-3, has the systematic name of 2-chloro-1-phenylethanone. It is also called 2-Chloro-1-phenylethanonato. And the molecular formula of this chemical is C7H8ClO.

The physical properties of Benzeneacetaldehyde, a-chloro- are as following: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 14.93; (6)ACD/BCF (pH 7.4): 14.93; (7)ACD/KOC (pH 5.5): 240.95; (8)ACD/KOC (pH 7.4): 240.95; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 41.12 cm3; (15)Molar Volume: 132.3 cm3; (16)Polarizability: 16.3×10-24cm3; (17)Surface Tension: 39 dyne/cm; (18)Density: 1.168 g/cm3; (19)Flash Point: 104.8 °C; (20)Enthalpy of Vaporization: 48.16 kJ/mol; (21)Boiling Point: 244.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0303 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)CCl
(2)InChI: InChI=1/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
(3)InChIKey: IMACFCSSMIZSPP-UHFFFAOYAN