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131042-86-9

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Basic Information
CAS No.: 131042-86-9
Name: 3,5-Dichlorobenzyl alcohol
Molecular Structure:
Molecular Structure of 131042-86-9 (3,5-Dichlorobenzyl alcohol)
Formula: C12H15NO2
Molecular Weight: 205.253
Synonyms: 5-Ethoxy-1,3-dimethylindolin-2-one;5-ETHOXY-1,3-DIMETHYL-2-INDOLINONE;
Density: 1.1g/cm3
Boiling Point: 381.381 °C at 760 mmHg
Flash Point: 184.453 °C
PSA: 29.54000
LogP: 2.23020
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Specification

The 2H-Indol-2-one,5-ethoxy-1,3-dihydro-1,3-dimethyl-, with CAS registry number 131042-86-9, has the systematic name of 5-ethoxy-1,3-dimethyl-1,3-dihydro-2H-indol-2-one. Besides this, it is also called 5-Ethoxy-1,3-dimethyl-2-indolinone. And the chemical formula of this chemical is C12H15NO2.

Physical properties of 2H-Indol-2-one,5-ethoxy-1,3-dihydro-1,3-dimethyl-: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 23; (6)ACD/BCF (pH 7.4): 23; (7)ACD/KOC (pH 5.5): 333; (8)ACD/KOC (pH 7.4): 333; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 58.24 cm3; (15)Molar Volume: 186.577 cm3; (16)Polarizability: 23.088×10-24cm3; (17)Surface Tension: 37.183 dyne/cm; (18)Density: 1.1 g/cm3; (19)Flash Point: 184.453 °C; (20)Enthalpy of Vaporization: 62.965 kJ/mol; (21)Boiling Point: 381.381 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N(c1ccc(OCC)cc1C2C)C
(2)InChI: InChI=1/C12H15NO2/c1-4-15-9-5-6-11-10(7-9)8(2)12(14)13(11)3/h5-8H,4H2,1-3H3
(3)InChIKey: JMRWLRFPUMZEGA-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C12H15NO2/c1-4-15-9-5-6-11-10(7-9)8(2)12(14)13(11)3/h5-8H,4H2,1-3H3
(5)Std. InChIKey: JMRWLRFPUMZEGA-UHFFFAOYSA-N