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CAS No.: | 93299-50-4 |
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Name: | 2-CHLORO-6-METHOXY-3-QUINOLINECARBALDEHYDE OXIME |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C11H9ClN2O2 |
Molecular Weight: | 236.658 |
Synonyms: | 2-chloro-6-methoxyquinoline-3-carbaldehyde oxime;3-quinolinecarboxaldehyde, 2-chloro-6-methoxy-, oxime;(E)-1-(2-chloro-6-methoxyquinolin-3-yl)-N-hydroxymethanimine;2-Chloro-6-methoxy-3-quinolinecarboxaldehyde oxime; |
Density: | 1.35 g/cm3 |
Melting Point: | 202-204 °C |
Boiling Point: | 401.3 °C at 760 mmHg |
Flash Point: | 196.5 °C |
PSA: | 54.71000 |
LogP: | 2.70490 |
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The 3-Quinolinecarboxaldehyde,2-chloro-6-methoxy-, oxime, with the CAS registry number 93299-50-4, has the systematic name of 2-chloro-6-methoxyquinoline-3-carbaldehyde oxime. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C11H9ClN2O2.
The characteristics of 3-Quinolinecarboxaldehyde,2-chloro-6-methoxy-, oxime are as followings: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.59; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 54.37; (6)ACD/BCF (pH 7.4): 53.28; (7)ACD/KOC (pH 5.5): 607.79; (8)ACD/KOC (pH 7.4): 595.64; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.71 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 60.9 cm3; (15)Molar Volume: 174.3 cm3; (16)Polarizability: 24.14×10-24cm3; (17)Surface Tension: 46.4 dyne/cm; (18)Density: 1.35 g/cm3; (19)Flash Point: 196.5 °C; (20)Enthalpy of Vaporization: 68.79 kJ/mol; (21)Boiling Point: 401.3 °C at 760 mmHg; (22)Vapour Pressure: 3.67E-07 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1nc2ccc(OC)cc2cc1\C=N\O
(2)InChI: InChI=1/C11H9ClN2O2/c1-16-9-2-3-10-7(5-9)4-8(6-13-15)11(12)14-10/h2-6,15H,1H3/b13-6+
(3)InChIKey: OEUJWQZDVAFKIL-AWNIVKPZBA