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39197-94-9

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Basic Information
CAS No.: 39197-94-9
Name: 2-(CHLOROMETHYL)ALLYLTRIMETHOXYSILANE
Molecular Structure:
Molecular Structure of 39197-94-9 (2-(CHLOROMETHYL)ALLYLTRIMETHOXYSILANE)
Formula: C7H15ClO3Si
Molecular Weight: 210.733
Synonyms: [2-(Chloromethyl)allyl]trimethoxysilane;Silane,[2-(chloromethyl)-2-propenyl]trimethoxy- (9CI);
Density: 1.027 g/cm3
Boiling Point: 176.2 °C at 760 mmHg
Flash Point: 51.9 °C
PSA: 27.69000
LogP: 1.65950
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Specification

The Silane,[2-(chloromethyl)-2-propen-1-yl]trimethoxy-, with the CAS registry number 39197-94-9, is also known as 2-(Chloromethyl)allyltrimethoxysilane. This chemical's molecular formula is C7H15ClO3Si and molecular weight is 210.73. What's more, its systematic name is [2-(chloromethyl)prop-2-en-1-yl](trimethoxy)silane.

Physical properties of Silane,[2-(chloromethyl)-2-propen-1-yl]trimethoxy- are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.57; (5)ACD/BCF (pH 5.5): 9.12; (6)ACD/BCF (pH 7.4): 9.12; (7)ACD/KOC (pH 5.5): 169.32; (8)ACD/KOC (pH 7.4): 169.32; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.428; (14)Molar Refractivity: 52.84 cm3; (15)Molar Volume: 205.1 cm3; (16)Polarizability: 20.95×10-24 cm3; (17)Surface Tension: 23.6 dyne/cm; (18)Density: 1.027 g/cm3; (19)Flash Point: 51.9 °C; (20)Enthalpy of Vaporization: 39.56 kJ/mol; (21)Boiling Point: 176.2 °C at 760 mmHg; (22)Vapour Pressure: 1.48 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CO[Si](CC(=C)CCl)(OC)OC
(2)InChI: InChI=1/C7H15ClO3Si/c1-7(5-8)6-12(9-2,10-3)11-4/h1,5-6H2,2-4H3
(3)InChIKey: GXGGOCHUJJTJGF-UHFFFAOYAE