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13058-77-0

Basic Information
CAS No.: 13058-77-0
Name: 8-CHLORO-[1,7]NAPHTHYRIDINE
Molecular Structure:
Molecular Structure of 13058-77-0 (8-CHLORO-[1,7]NAPHTHYRIDINE)
Formula: C8H5ClN2
Molecular Weight: 164.594
Synonyms: 8-CHLORO-[1,7]NAPHTHYRIDINE
Density: 1.349g/cm3
Boiling Point: 307.9 °C at 760 mmHg
Flash Point: 168.8 °C
PSA: 25.78000
LogP: 2.28320
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Specification

The 1,7-Naphthyridine, 8-chloro-, with CAS registry number 13058-77-0, belongs to the following product category: Pharmacetical. It has the systematic name of 8-chloro-1,7-naphthyridine. Its molecular weight is 164.59. And the chemical formula of this chemical is C8H5ClN2.

Physical properties of 1,7-Naphthyridine, 8-chloro-: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 2.91; (6)ACD/BCF (pH 7.4): 2.91; (7)ACD/KOC (pH 5.5): 74.84; (8)ACD/KOC (pH 7.4): 74.85; (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: 1.662; (14)Molar Refractivity: 45.17 cm3; (15)Molar Volume: 121.9 cm3; (16)Polarizability: 17.9×10-24cm3; (17)Surface Tension: 57.1 dyne/cm; (18)Density: 1.349 g/cm3; (19)Flash Point: 168.8 °C; (20)Enthalpy of Vaporization: 52.66 kJ/mol; (21)Boiling Point: 307.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00128 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2nccc1cccnc12
(2)InChI: InChI=1/C8H5ClN2/c9-8-7-6(3-5-11-8)2-1-4-10-7/h1-5H
(3)InChIKey: FMSVBSQYYFTDSR-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H5ClN2/c9-8-7-6(3-5-11-8)2-1-4-10-7/h1-5H
(5)Std. InChIKey: FMSVBSQYYFTDSR-UHFFFAOYSA-N