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884495-43-6

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Basic Information
CAS No.: 884495-43-6
Name: 3-Chloro-2-formyl-4-picoline
Molecular Structure:
Molecular Structure of 884495-43-6 (3-Chloro-2-formyl-4-picoline)
Formula: C7H6ClNO
Molecular Weight: 155.5816
Synonyms: 3-Chloro-4-Methylpicolinaldehyde
Density: 1.27 g/cm3
Boiling Point: 228.683 °C at 760 mmHg
Flash Point: 92.105 °C
PSA: 29.96000
LogP: 1.85590
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Specification

The 2-Pyridinecarboxaldehyde,3-chloro-4-methyl-, with CAS registry number 884495-43-6, belongs to the following product category: Pyridine. It has the systematic name of 3-chloro-4-methyl-pyridine-2-carbaldehyde. And the chemical formula of this chemical is C7H6ClNO.

Physical properties of 2-Pyridinecarboxaldehyde,3-chloro-4-methyl-: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.983; (4)ACD/LogD (pH 7.4): 1.983; (5)ACD/BCF (pH 5.5): 18.925; (6)ACD/BCF (pH 7.4): 18.931; (7)ACD/KOC (pH 5.5): 285.557; (8)ACD/KOC (pH 7.4): 285.636; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 40.817 cm3; (15)Molar Volume: 122.549 cm3; (16)Polarizability: 16.181×10-24cm3; (17)Surface Tension: 46.486 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 92.105 °C; (20)Enthalpy of Vaporization: 46.528 kJ/mol; (21)Boiling Point: 228.683 °C at 760 mmHg; (22)Vapour Pressure: 0.072 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccnc(c1Cl)C=O
(2)InChI: InChI=1/C7H6ClNO/c1-5-2-3-9-6(4-10)7(5)8/h2-4H,1H3
(3)InChIKey: WRNWASKGNIVGFK-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C7H6ClNO/c1-5-2-3-9-6(4-10)7(5)8/h2-4H,1H3
(5)Std. InChIKey: WRNWASKGNIVGFK-UHFFFAOYSA-N