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Basic Information
CAS No.: 61323-17-9
Name: 2-Bromo-1,8-naphthyridine
Molecular Structure:
Molecular Structure of 61323-17-9 (2-Bromo-1,8-naphthyridine)
Formula: C8H5BrN2
Molecular Weight: 209.045
Synonyms: 2-Bromo-1,8-naphthyridine;
Density: 1.656 g/cm3
Melting Point: 152-153 °C
Boiling Point: 307.4 °C at 760 mmHg
Flash Point: 139.7 °C
PSA: 25.78000
LogP: 2.39230
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Specification

The 2-Bromo-1,8-naphthyridine, with the CAS registry number 61323-17-9, is also known as 1,8-Naphthyridine, 2-bromo-. This chemical's molecular formula is C8H5BrN2 and molecular weight is 209.04. Its systematic name is called 2-bromo-1,8-naphthyridine.

Physical properties of 2-Bromo-1,8-naphthyridine: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 12.64; (6)ACD/BCF (pH 7.4): 12.65; (7)ACD/KOC (pH 5.5): 213.91; (8)ACD/KOC (pH 7.4): 213.98; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.685; (13)Molar Refractivity: 47.96 cm3; (14)Molar Volume: 126.1 cm3; (15)Surface Tension: 59.1 dyne/cm; (16)Density: 1.656 g/cm3; (17)Flash Point: 139.7 °C; (18)Enthalpy of Vaporization: 52.61 kJ/mol; (19)Boiling Point: 307.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00132 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2nc1ncccc1cc2
(2)InChI: InChI=1/C8H5BrN2/c9-7-4-3-6-2-1-5-10-8(6)11-7/h1-5H
(3)InChIKey: BCMGOTDNNMLUBS-UHFFFAOYAE