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80935-78-0

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Basic Information
CAS No.: 80935-78-0
Name: 1-CHLORO-[2,6]NAPHTHYRIDINE
Article Data: 3
Molecular Structure:
Molecular Structure of 80935-78-0 (1-CHLORO-[2,6]NAPHTHYRIDINE)
Formula: C8H5ClN2
Molecular Weight: 164.594
Synonyms: 1-Chloro-2,6-naphthyridine;1-Chloro-[2,6]naphthyridine;
Density: 1.35 g/cm3
Melting Point: 92-93 °C(Solv: ligroine (8032-32-4))
Boiling Point: 326.369 °C at 760 mmHg
Flash Point: 181.06 °C
PSA: 25.78000
LogP: 2.28320
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Specification

The 2,6-Naphthyridine, 1-chloro-, with the CAS registry number 80935-78-0, is also known as 1-Chloro-[2,6]naphthyridine. This chemical's molecular formula is C8H5ClN2 and molecular weight is 164.59. What's more, its systematic name is 1-chloro-2,6-naphthyridine.

Physical properties of 2,6-Naphthyridine, 1-chloro- are: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 99; (8)ACD/KOC (pH 7.4): 99; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 45.173 cm3; (15)Molar Volume: 121.948 cm3; (16)Polarizability: 17.908×10-24cm3; (17)Surface Tension: 57.134 dyne/cm; (18)Density: 1.35 g/cm3; (19)Flash Point: 181.06 °C; (20)Enthalpy of Vaporization: 54.598 kJ/mol; (21)Boiling Point: 326.369 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2nccc1cnccc12
(2)InChI: InChI=1S/C8H5ClN2/c9-8-7-2-3-10-5-6(7)1-4-11-8/h1-5H
(3)InChIKey: WNHXOMIPBUWDIJ-UHFFFAOYSA-N