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18557-22-7

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Basic Information
CAS No.: 18557-22-7
Name: 4,9-Dibromonaphtho[2,3-c][1,2,5]thiadiazole
Article Data: 6
Molecular Structure:
Molecular Structure of 18557-22-7 (4,9-Dibromonaphtho[2,3-c][1,2,5]thiadiazole)
Formula: C10H4Br2N2S
Molecular Weight: 344.029
Synonyms: 4,9-DIBROMONAPHTHO[2,3-C][1,2,5]THIADIAZOLE;4,9-Dibromonaphtho[2,3-c][1,2,5]thiadiazole ,97%
Density: 2.073 g/cm3
Boiling Point: 421.793 °C at 760 mmHg
Flash Point: 208.893 °C
PSA: 54.02000
LogP: 4.36950
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Specification

The 4, 9-Dibromonaphtho[2, 3-c][1, 2, 5]thiadiazole has CAS registry number 18557-22-7. This chemical's molecular formula is C10H4Br2N2S and molecular weight is 344.02. What's more, its systematic name is 4, 9-dibromonaphtho[2, 3-c][1, 2, 5]thiadiazole.

Physical properties about 4, 9-Dibromonaphtho[2, 3-c][1, 2, 5]thiadiazole are: (1)ACD/LogP: 4.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 2716; (6)ACD/BCF (pH 7.4): 2716; (7)ACD/KOC (pH 5.5): 9992; (8)ACD/KOC (pH 7.4): 9992; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.02 Å2; (13)Index of Refraction: 1.814; (14)Molar Refractivity: 71.885 cm3; (15)Molar Volume: 165.961 cm3; (16)Polarizability: 28.497×10-24 cm3; (17)Surface Tension: 74.38 dyne/cm; (18)Density: 2.073 g/cm3; (19)Flash Point: 208.893 °C; (20)Enthalpy of Vaporization: 64.968 kJ/mol; (21)Boiling Point: 421.793 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc2c1ccccc1c(Br)c3nsnc23
(2) InChI: InChI=1/C10H4Br2N2S/c11-7-5-3-1-2-4-6(5)8(12)10-9(7)13-15-14-10/h1-4H
(3) InChIKey: XGTQHVQKGZSPIK-UHFFFAOYAP