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959558-28-2

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Basic Information
CAS No.: 959558-28-2
Name: 2,7-Naphthyridin-1-aMine, 4-broMo-
Article Data: 1
Molecular Structure:
Molecular Structure of 959558-28-2 (2,7-Naphthyridin-1-aMine, 4-broMo-)
Formula: C8H6BrN3
Molecular Weight: 224.06
Synonyms: 2,7-naphthyridin-1-amine, 4-bromo-; 4-Bromo-2,7-naphthyridin-1-amine; LogP
Density: 1.744 g/cm3
Boiling Point: 377.917 °C at 760 mmHg
Flash Point: 182.358 °C
PSA: 52.53000
LogP: 1.90460
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Specification

The CAS registry number of 2,7-Naphthyridin-1-amine,4-bromo- is 959558-28-2. This chemical's molecular formula is C8H6BrN3 and molecular weight is 222.97. What's more, its systematic name is called 4-Bromo-2,7-naphthyridin-1-amine.

Physical properties about 2,7-Naphthyridin-1-amine,4-bromo- are: (1)ACD/LogP: 1.722; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 1.72; (5)ACD/BCF (pH 5.5): 11.09; (6)ACD/BCF (pH 7.4): 11.98; (7)ACD/KOC (pH 5.5): 190.55; (8)ACD/KOC (pH 7.4): 205.85; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.8 Å2; (13)Index of Refraction: 1.747; (14)Molar Refractivity: 52.204 cm3; (15)Molar Volume: 128.462 cm3; (16)Polarizability: 20.695×10-24cm3; (17)Surface Tension: 73.18 dyne/cm; (18)Density: 1.744 g/cm3; (19)Flash Point: 182.358 °C; (20)Enthalpy of Vaporization: 62.575 kJ/mol; (21)Boiling Point: 377.917 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cncc2c1c(cnc2N)Br
(2) InChI: InChI=1S/C8H6BrN3/c9-7-4-12-8(10)6-3-11-2-1-5(6)7/h1-4H,(H2,10,12)
(3) InChIKey: GIFGLLRPNLFCGT-UHFFFAOYSA-N