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409346-71-0

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Basic Information
CAS No.: 409346-71-0
Name: 6-Bromo-3-ethyl-2-methoxyquinoline
Molecular Structure:
Molecular Structure of 409346-71-0 (6-Bromo-3-ethyl-2-methoxyquinoline)
Formula: C12H12BrNO
Molecular Weight: 266.137
Synonyms: Quinoline, 6-bromo-3-ethyl-2-methoxy-;
Density: 1.402 g/cm3
Melting Point: 70℃
Boiling Point: 329.1 °C at 760 mmHg
Flash Point: 152.8 °C
PSA: 22.12000
LogP: 3.56830
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    Molecular Formula： C12H12BrNO Molecular Weight： 266.13Appearance:off white solid

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Specification

The formula of 6-Bromo-3-ethyl-2-methoxyquinoline is C12H12BrNO. The IUPAC name of this chemical is 6-Bromo-3-ethyl-2-methoxyquinoline. With the CAS registry number 409346-71-0, it is also named as Quinoline, 6-bromo-3-ethyl-2-methoxy-. In addition, the molecular weight is 266.13378.

Physical properties about 6-Bromo-3-ethyl-2-methoxyquinoline are: (1)ACD/LogP: 3.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.74; (4)ACD/LogD (pH 7.4): 3.74; (5)ACD/BCF (pH 5.5): 406.88; (6)ACD/BCF (pH 7.4): 407.34; (7)ACD/KOC (pH 5.5): 2566.37; (8)ACD/KOC (pH 7.4): 2569.28; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.613; (13)Molar Refractivity: 66.1 cm3; (14)Molar Volume: 189.7 cm3; (15)Surface Tension: 44 dyne/cm; (16)Density: 1.402 g/cm3; (17)Flash Point: 152.8 °C; (18)Enthalpy of Vaporization: 54.88 kJ/mol; (19)Boiling Point: 329.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000348 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2nc(OC)c(cc2c1)CC
(2)InChI: InChI=1/C12H12BrNO/c1-3-8-6-9-7-10(13)4-5-11(9)14-12(8)15-2/h4-7H,3H2,1-2H3
(3)InChIKey: ZCXYMPXXSRBSCA-UHFFFAOYAQ