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54569-28-7

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Basic Information
CAS No.: 54569-28-7
Name: 4-Bromo-1,8-naphthyridine
Molecular Structure:
Molecular Structure of 54569-28-7 (4-Bromo-1,8-naphthyridine)
Formula: C8H5BrN2
Molecular Weight: 209.045
Synonyms: 4-Bromo-1,8-naphthyridine
Density: 1.656 g/cm3
Boiling Point: 141.9 °C
Flash Point: 311 °C at 760 mmHg
PSA: 25.78000
LogP: 2.39230
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Specification

The 4-Bromo-1,8-naphthyridine, with CAS registry number 54569-28-7, has the systematic name of 4-bromo-1,8-naphthyridine. Besides this, it is also called 1,8-naphthyridine, 4-bromo-. And the chemical formula of this chemical is C8H5BrN2.

Physical properties of 4-Bromo-1,8-naphthyridine: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 1.69; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 25.78 Å2; (9)Index of Refraction: 1.685; (10)Molar Refractivity: 47.96 cm3; (11)Molar Volume: 126.1 cm3; (12)Polarizability: 19.01×10-24cm3; (13)Surface Tension: 59.1 dyne/cm; (14)Enthalpy of Vaporization: 52.99 kJ/mol; (15)Vapour Pressure: 0.00106 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(ccnc2nc1)Br
(2)InChI: InChI=1/C8H5BrN2/c9-7-3-5-11-8-6(7)2-1-4-10-8/h1-5H
(3)InChIKey: QYXNSNJTMIEAPG-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H5BrN2/c9-7-3-5-11-8-6(7)2-1-4-10-8/h1-5H
(5)Std. InChIKey: QYXNSNJTMIEAPG-UHFFFAOYSA-N