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38154-40-4

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Basic Information
CAS No.: 38154-40-4
Name: 4-Chloro-2-ethylquinazoline
Article Data: 3
Molecular Structure:
Molecular Structure of 38154-40-4 (4-Chloro-2-ethylquinazoline)
Formula: C10H9ClN2
Molecular Weight: 192.64
Synonyms: Quinazoline, 4-chloro-2-ethyl-;
Density: 1.245 g/cm3
Melting Point: 178℃
Boiling Point: 231.138 °C at 760 mmHg
Flash Point: 115.792 °C
PSA: 25.78000
LogP: 2.84560
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Specification

The 4-Chloro-2-ethylquinazoline, with the CAS registry number 38154-40-4, is also known as Quinazoline, 4-chloro-2-ethyl-. This chemical's molecular formula is C10H9ClN2 and molecular weight is 192.64. What's more, its systematic name is 4-Chloro-2-ethylquinazoline.

Physical properties about 4-Chloro-2-ethylquinazoline are: (1)ACD/LogP: 3.08; (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): 38; (6)ACD/BCF (pH 7.4): 38; (7)ACD/KOC (pH 5.5): 467; (8)ACD/KOC (pH 7.4): 467; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 54.722 cm3; (15)Molar Volume: 154.765 cm3; (16)Polarizability: 21.694×10-24 cm3; (17)Surface Tension: 50.158 dyne/cm; (18)Density: 1.245 g/cm3; (19)Flash Point: 115.792 °C; (20)Enthalpy of Vaporization: 44.879 kJ/mol; (21)Boiling Point: 231.138 °C at 760 mmHg; (22)Vapour Pressure: 0.096 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2nc(nc1c2cccc1)CC
(2) InChI: InChI=1/C10H9ClN2/c1-2-9-12-8-6-4-3-5-7(8)10(11)13-9/h3-6H,2H2,1H3
(3) InChIKey: RDUNVFMFQKNWBM-UHFFFAOYAJ