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97892-67-6

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Basic Information
CAS No.: 97892-67-6
Name: 2-CHLORO-7-METHOXY-4-METHYL-QUINOLINE
Article Data: 5
Molecular Structure:
Molecular Structure of 97892-67-6 (2-CHLORO-7-METHOXY-4-METHYL-QUINOLINE)
Formula: C11H10ClNO
Molecular Weight: 207.659
Synonyms: 2-chloro-7-methoxy-4-methylquinoline(SALTDATA: FREE)
Density: 1.228 g/cm3
Melting Point: 111-113℃
Boiling Point: 333.4 °C at 760 mmHg
Flash Point: 155.4 °C
PSA: 22.12000
LogP: 3.20520
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Specification

The Quinoline,2-chloro-7-methoxy-4-methyl-, with its CAS registry number 97892-67-6, has the systematic name of 2-chloro-7-methoxy-4-methylquinoline. And it has the molecular formula of C11H10ClNO. When store it, you should keep it in the dry and well-ventilated place.

The characteristics of Quinoline,2-chloro-7-methoxy-4-methyl- are as follows: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 22.12 Å2; (7)Index of Refraction: 1.609; (8)Molar Refractivity: 58.58 cm3; (9)Molar Volume: 169 cm3; (10)Polarizability: 23.22× 10-24cm3; (11)Surface Tension: 44 dyne/cm; (12)Density: 1.228 g/cm3; (13)Flash Point: 155.4 °C; (14)Enthalpy of Vaporization: 55.34 kJ/mol; (15)Boiling Point: 333.4 °C at 760 mmHg; (16)Vapour Pressure: 0.000265 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Clc1nc2cc(OC)ccc2c(c1)C
(2)InChI:InChI=1/C11H10ClNO/c1-7-5-11(12)13-10-6-8(14-2)3-4-9(7)10/h3-6H,1-2H3
(3)InChIKey:SMJPQHMCVFWKMI-UHFFFAOYAA
(4)Std. InChI:InChI=1S/C11H10ClNO/c1-7-5-11(12)13-10-6-8(14-2)3-4-9(7)10/h3-6H,1-2H3
(5)Std. InChIKey:SMJPQHMCVFWKMI-UHFFFAOYSA-N