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4-Pyridinecarboxaldehyde,2-chloro-6-methoxy- (329794-31-2)

Identification
Name:4-Pyridinecarboxaldehyde,2-chloro-6-methoxy-
Synonyms:2-Chloro-6-methoxyisonicotinoyl;4-pyridinecarboxaldehyde, 2-chloro-6-methoxy-;
CAS:329794-31-2
Molecular Formula: C7H6ClNO2
Molecular Weight: 171.58104
InChI: InChI=1/C7H6ClNO2/c1-11-7-3-5(4-10)2-6(8)9-7/h2-4H,1H3
Molecular Structure: (C7H6ClNO2) 2-Chloro-6-methoxyisonicotinoyl;4-pyridinecarboxaldehyde, 2-chloro-6-methoxy-;
Properties
Density:1.317 g/cm3
Refractive index:1.568
Specification:

The 2-Chloro-6-methoxy-4-pyridinecarboxaldehyde, with the CAS registry number 329794-31-2, is also called 2-Chloro-6-methoxyisonicotinaldehyde. And the molecular formula of the chemical is C7H6ClNO2.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.04; (4)ACD/LogD (pH 7.4): 2.04; (5)ACD/BCF (pH 5.5): 20.94; (6)ACD/BCF (pH 7.4): 20.94; (7)ACD/KOC (pH 5.5): 307.05; (8)ACD/KOC (pH 7.4): 307.05; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 42.67 cm3; (15)Molar Volume: 130.2 cm3; (16)Polarizability: 16.91×10-24cm3; (17)Surface Tension: 45.8 dyne/cm; (18)Density: 1.317 g/cm3; (19)Flash Point: 116.8 °C; (20)Enthalpy of Vaporization: 50.76 kJ/mol; (21)Boiling Point: 269.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00724 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1cc(OC)nc(Cl)c1
(2)InChI: InChI=1/C7H6ClNO2/c1-11-7-3-5(4-10)2-6(8)9-7/h2-4H,1H3
(3)InChIKey: JGLUGWCEIUZBED-UHFFFAOYAW

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