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164219-72-1

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Basic Information
CAS No.: 164219-72-1
Name: 4-Benzoyl-3-nitropyridine
Article Data: 1
Molecular Structure:
Molecular Structure of 164219-72-1 (4-Benzoyl-3-nitropyridine)
Formula: C12H8N2O3
Molecular Weight: 228.2
Synonyms: 4-BENZOYL-3-NITROPYRIDINE
Density: 1.322 g/cm3
Boiling Point: 426.033 °C at 760 mmHg
Flash Point: 211.457 °C
PSA: 75.78000
LogP: 2.74400
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Specification

The CAS register number of 4-Benzoyl-3-nitropyridine is 164219-72-1. The systematic name about this chemical is (3-nitropyridin-4-yl)(phenyl)methanone. The molecular formula about this chemical is C12H8N2O3 and the molecular weight is 228.2.

Physical properties about 4-Benzoyl-3-nitropyridine are: (1)ACD/LogP: 1.55; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 8; (5)ACD/BCF (pH 7.4): 8; (6)ACD/KOC (pH 5.5): 155; (7)ACD/KOC (pH 7.4): 155; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 75.78 Å2; (11)Index of Refraction: 1.621; (12)Molar Refractivity: 60.683 cm3; (13)Molar Volume: 172.614 cm3; (14)Polarizability: 24.056x10-24cm3; (15)Surface Tension: 58.09 dyne/cm; (16)Density: 1.322 g/cm3; (17)Flash Point: 211.457 °C; (18)Enthalpy of Vaporization: 68.078 kJ/mol; (19)Boiling Point: 426.033 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c2c(C(=O)c1ccccc1)ccnc2
(2)InChI: InChI=1/C12H8N2O3/c15-12(9-4-2-1-3-5-9)10-6-7-13-8-11(10)14(16)17/h1-8H
(3)InChIKey: QUPMIVUMNSOULW-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C12H8N2O3/c15-12(9-4-2-1-3-5-9)10-6-7-13-8-11(10)14(16)17/h1-8H
(5)Std. InChIKey: QUPMIVUMNSOULW-UHFFFAOYSA-N