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1150618-43-1

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Basic Information
CAS No.: 1150618-43-1
Name: 6-Bromo-1,8-naphthyridin-4(1H)-one
Molecular Structure:
Molecular Structure of 1150618-43-1 (6-Bromo-1,8-naphthyridin-4(1H)-one)
Formula: C8H5BrN2O
Molecular Weight: 225.0421
Synonyms: 6-Bromohydropyridino[2,3-b]pyridin-4-one;
Density: 1.711 g/cm3
Boiling Point: 338.329 °C at 760 mmHg
Flash Point: 158.416 °C
PSA: 45.75000
LogP: 1.68560
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Specification

The CAS registry number of 6-Bromo-1,8-naphthyridin-4(1H)-one is 1150618-43-1. This chemical is also named as 6-Bromohydropyridino[2,3-b]pyridin-4-one. In addition, its molecular formula is C8H5BrN2O and molecular weight is 225.0421. Its systematic name is called 6-bromo-1H-1,8-naphthyridin-4-one.

Physical properties about this chemical are: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.718; (4)ACD/LogD (pH 7.4): 0.72; (5)ACD/BCF (pH 5.5): 2.064; (6)ACD/BCF (pH 7.4): 2.076; (7)ACD/KOC (pH 5.5): 58.373; (8)ACD/KOC (pH 7.4): 58.712; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.639; (13)Molar Refractivity: 47.291 cm3; (14)Molar Volume: 131.495 cm3; (15)Surface Tension: 56.278 dyne/cm; (16)Density: 1.711 g/cm3; (17)Flash Point: 158.416 °C; (18)Enthalpy of Vaporization: 58.167 kJ/mol; (19)Boiling Point: 338.329 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c[nH]c2c(c1=O)cc(cn2)Br
(2)InChI: InChI=1/C8H5BrN2O/c9-5-3-6-7(12)1-2-10-8(6)11-4-5/h1-4H,(H,10,11,12)
(3)InChIKey: RLEYIKCWRQIVKQ-UHFFFAOYAD