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126334-84-7

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Basic Information
CAS No.: 126334-84-7
Name: ETHYL 2-(CHLOROMETHYL)-4-PHENYLQUINOLINE-3-CARBOXYLATE HYDROCHLORIDE
Article Data: 8
Molecular Structure:
Molecular Structure of 126334-84-7 (ETHYL 2-(CHLOROMETHYL)-4-PHENYLQUINOLINE-3-CARBOXYLATE HYDROCHLORIDE)
Formula: C19H16ClNO2
Molecular Weight: 325.795
Synonyms: Ethyl2-Chloromethyl-4-phenylquinoline-3-carboxylate;
Density: 1.233 g/cm3
Boiling Point: 469.2 °C at 760 mmHg
Flash Point: 237.5 °C
Safety: 24/25
PSA: 39.19000
LogP: 5.61930
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Specification

This chemical is called 3-Quinolinecarboxylicacid, 2-(chloromethyl)-4-phenyl-, ethyl ester, and its IUPAC name is Ethyl 2-(chloromethyl)-4-phenylquinoline-3-carboxylate. With the molecular formula of C19H16ClNO2, its molecular weight is 325.79. The CAS registry number of this chemical is 126334-84-7. 

Other characteristics of 3-Quinolinecarboxylicacid, 2-(chloromethyl)-4-phenyl-, ethyl ester can be summarised as followings: (1)ACD/LogP: 4.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.22; (4)ACD/LogD (pH 7.4): 4.22; (5)ACD/BCF (pH 5.5): 946.98; (6)ACD/BCF (pH 7.4): 947.14; (7)ACD/KOC (pH 5.5): 4699.43; (8)ACD/KOC (pH 7.4): 4700.21; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 92.95 cm3; (15)Molar Volume: 264.1 cm3; (16)Polarizability: 36.84×10-24cm3; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.233 g/cm3; (19)Flash Point: 237.5 °C; (20)Enthalpy of Vaporization: 73.15 kJ/mol; (21)Boiling Point: 469.2 °C at 760 mmHg; (22)Vapour Pressure: 5.63E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(OCC)c1c(c2ccccc2nc1CCl)c3ccccc3
2.InChI: InChI=1/C19H16ClNO2/c1-2-23-19(22)18-16(12-20)21-15-11-7-6-10-14(15)17(18)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
3.InChIKey: ALIAVAGSVSBXQU-UHFFFAOYAS
4.Std. InChI: InChI=1S/C19H16ClNO2/c1-2-23-19(22)18-16(12-20)21-15-11-7-6-10-14(15)17(18)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
5.Std. InChIKey: ALIAVAGSVSBXQU-UHFFFAOYSA-N