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50786-60-2

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Basic Information
CAS No.: 50786-60-2
Name: 3-CHLORO-1-(2,5-DIMETHOXYPHENYL)PROPAN-1-ONE
Molecular Structure:
Molecular Structure of 50786-60-2 (3-CHLORO-1-(2,5-DIMETHOXYPHENYL)PROPAN-1-ONE)
Formula: C11H13ClO3
Molecular Weight: 228.67
Synonyms: 3-Chloro-1-(2,5-dimethoxyphenyl)propan-1-one;
Density: 1.161 g/cm3
Boiling Point: 345.3 °C at 760 mmHg
Flash Point: 143.8 °C
PSA: 35.53000
LogP: 2.51540
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Specification

The CAS register number of 1-Propanone,3-chloro-1-(2,5-dimethoxyphenyl)- is 50786-60-2. It also can be called as 3-Chloro-1-(2,5-dimethoxyphenyl)propan-1-one. The molecular formula about this chemical is C11H13ClO3 and the molecular weight is 228.67.

Physical properties about 1-Propanone,3-chloro-1-(2,5-dimethoxyphenyl)- are: (1)ACD/LogP: 2.67; (2)ACD/LogD (pH 5.5): 2.67; (3)ACD/LogD (pH 7.4): 2.67; (4)ACD/BCF (pH 5.5): 62.91; (5)ACD/BCF (pH 7.4): 62.91; (6)ACD/KOC (pH 5.5): 674.75; (7)ACD/KOC (pH 7.4): 674.75; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 35.53 Å2; (11)Index of Refraction: 1.512; (12)Molar Refractivity: 59.11 cm3; (13)Molar Volume: 196.8 cm3; (14)Polarizability: 23.43x10-24cm3; (15)Surface Tension: 36.5 dyne/cm; (16)Density: 1.161 g/cm3; (17)Flash Point: 143.8 °C; (18)Enthalpy of Vaporization: 58.93 kJ/mol; (19)Boiling Point: 345.3 °C at 760 mmHg; (20)Vapour Pressure: 6.23E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCC(=O)c1cc(OC)ccc1OC
(2)InChI: InChI=1/C11H13ClO3/c1-14-8-3-4-11(15-2)9(7-8)10(13)5-6-12/h3-4,7H,5-6H2,1-2H3
(3)InChIKey: OXEWSWMETKFBGX-UHFFFAOYAU