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25726-04-9

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Basic Information
CAS No.: 25726-04-9
Name: Benzeneacetyl chloride, alpha-oxo- (9CI)
Article Data: 112
Molecular Structure:
Molecular Structure of 25726-04-9 (Benzeneacetyl chloride, alpha-oxo- (9CI))
Formula: C8H5ClO2
Molecular Weight: 168.579
Synonyms: 2-Oxo-2-phenylacetyl chloride;
Density: 1.3±0.1 g/cm3
Boiling Point: 264.7±23.0 °C at 760 mmHg
Flash Point: 109.4±23.2 °C
PSA: 34.14000
LogP: 1.63470
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Specification

The Oxo(phenyl)acetyl chloride, with the CAS registry number 25726-04-9, is also known as 2-Oxo-2-phenylacetyl chloride. It belongs to the product category of Acetylhalide. This chemical's molecular formula is C8H5ClO2 and molecular weight is 168.58. What's more, its systematic name is Oxo(phenyl)acetyl chloride. 

Physical properties of Oxo(phenyl)acetyl chloride are: (1)ACD/LogP: 1.83±0.60; (2) # of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 14.36; (6)ACD/BCF (pH 7.4): 14.36; (7)ACD/KOC (pH 5.5): 234.39; (8)ACD/KOC (pH 7.4): 234.39; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 41.2±0.3 cm3; (15)Molar Volume: 129.5±3.0 cm3; (16)Polarizability: 16.3±0.5×10-24cm3; (17)Surface Tension: 45.3±3.0 dyne/cm; (18)Density: 1.3±0.1 g/cm3; (19)Flash Point: 109.4±23.2 °C; (20)Enthalpy of Vaporization: 50.3±3.0 kJ/mol; (21)Boiling Point: 264.7±23.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C1=CC=C(C=C1)C(=O)C(=O)Cl
(2)Std. InChI: InChI=1S/C8H5ClO2/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5H
(3)Std. InChIKey: BNGOFPJWZUXKNR-UHFFFAOYSA-N