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945761-95-5

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Basic Information
CAS No.: 945761-95-5
Name: 3-bromo-7-nitro-2H-indazole
Article Data: 2
Molecular Structure:
Molecular Structure of 945761-95-5 (3-bromo-7-nitro-2H-indazole)
Formula: C7H4BrIN2
Molecular Weight: 322.931
Synonyms: 3-Bromo-7-iodo-1H-indazole;
Density: 2.421 g/cm3
Boiling Point: 242.9 °C at 760 mmHg
Flash Point: 100.7 °C
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Specification

The 1H-Indazole,3-bromo-7-iodo- has the CAS registry number 945761-95-5. This chemical's molecular formula is C7H4BrIN2 and molecular weight is 322.93. What's more, its systematic name is 3-bromo-7-iodo-2H-indazole.

Physical properties of 1H-Indazole,3-bromo-7-iodo- are: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.49; (4)ACD/BCF (pH 5.5): 265.72; (5)ACD/BCF (pH 7.4): 265.62; (6)ACD/KOC (pH 5.5): 1892.4; (7)ACD/KOC (pH 7.4): 1891.7; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 17.82 Å2; (12)Index of Refraction: 1.804; (13)Molar Refractivity: 57.21 cm3; (14)Molar Volume: 133.3 cm3; (15)Polarizability: 22.68×10-24cm3; (16)Surface Tension: 73.8 dyne/cm; (17)Density: 2.421 g/cm3; (18)Flash Point: 100.7 °C; (19)Enthalpy of Vaporization: 47.99 kJ/mol; (20)Boiling Point: 242.9 °C at 760 mmHg; (21)Vapour Pressure: 0.033 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(c(c1)I)n[nH]c2Br
(2)InChI: InChI=1S/C7H4BrIN2/c8-7-4-2-1-3-5(9)6(4)10-11-7/h1-3H,(H,10,11)
(3)InChIKey: CSVJSYJEYYTJPV-UHFFFAOYSA-N