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440112-17-4

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Basic Information
CAS No.: 440112-17-4
Name: Pyridine,4-bromo-3-(4-nitrophenyl)-
Article Data: 2
Molecular Structure:
Molecular Structure of 440112-17-4 (Pyridine,4-bromo-3-(4-nitrophenyl)-)
Formula: C11H7BrN2O2
Molecular Weight: 279.093
Synonyms: 4-Bromo-3-(4-nitrophenyl)pyridine;
Density: 1.586 g/cm3
Boiling Point: 396.802 °C at 760 mmHg
Flash Point: 193.779 °C
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    Pyridine,4-bromo-3-(4-nitrophenyl)-

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  • Pyridine,4-bromo-3-(4-nitrophenyl)-

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    Pyridine,4-bromo-3-(4-nitrophenyl)-

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  • 4-BROMO-3-(4-NITROPHENYL)PYRIDINECAS

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    4-BROMO-3-(4-NITROPHENYL)PYRIDINECAS

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  • 4-bromo-3-(4-nitrophenyl)pyridine

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    440112-17-4

    4-bromo-3-(4-nitrophenyl)pyridine

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Specification

The Pyridine, 4-bromo-3-(4-nitrophenyl)- has CAS registry number 440112-17-4. This chemical's molecular formula is C11H7BrN2O2 and molecular weight is 279.09. What's more, its systematic name is 4-Bromo-3-(4-nitrophenyl)pyridine.

Physical properties about Pyridine, 4-bromo-3-(4-nitrophenyl)- are: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 92; (6)ACD/BCF (pH 7.4): 92; (7)ACD/KOC (pH 5.5): 886; (8)ACD/KOC (pH 7.4): 887; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.71 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 63.172 cm3; (15)Molar Volume: 175.968 cm3; (16)Polarizability: 25.043×10-24 cm3; (17)Surface Tension: 55.715 dyne/cm; (18)Density: 1.586 g/cm3; (19)Flash Point: 193.779 °C; (20)Enthalpy of Vaporization: 62.191 kJ/mol; (21)Boiling Point: 396.802 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc(cc1)c2cnccc2Br
(2) InChI: InChI=1/C11H7BrN2O2/c12-11-5-6-13-7-10(11)8-1-3-9(4-2-8)14(15)16/h1-7H
(3) InChIKey: WULLARBEVOFIBH-UHFFFAOYAV