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74420-06-7

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Basic Information
CAS No.: 74420-06-7
Name: 1H-Pyrrolo[2,3-b]pyridine, 4-nitro-, 7-oxide
Article Data: 7
Molecular Structure:
Molecular Structure of 74420-06-7 (1H-Pyrrolo[2,3-b]pyridine, 4-nitro-, 7-oxide)
Formula: C7H5N3O3
Molecular Weight: 179.135
Synonyms: 4-Nitro-1H-pyrrolo[2,3-b]pyridine 7-oxide;4-Nitro-1H-pyrrolo[2,3-b]pyridine-7-oxyde;
Density: 1.684 g/cm3
Melting Point: 229-230.5 °C (decomp)
Boiling Point: 463.331 °C at 760 mmHg
Flash Point: 234.015 °C
Risk Codes: 20/21/22
Safety: 24/25-36/37
PSA: 87.07000
LogP: 2.02780
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Specification

The CAS registry number of 1H-Pyrrolo[2,3-b]pyridine, 4-nitro-, 7-oxide is 74420-06-7. The systematic name is 4-nitro-1H-pyrrolo[2,3-b]pyridine 7-oxide. In addition, the molecular formula is C7H5N3O3 and the molecular weight is 179.13. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about 1H-Pyrrolo[2,3-b]pyridine, 4-nitro-, 7-oxide are: (1)ACD/LogP: 0.36; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 15; (5)ACD/KOC (pH 7.4): 15; (6)#H bond acceptors: 6; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 87.07 Å2; (10)Index of Refraction: 1.748; (11)Molar Refractivity: 43.225 cm3; (12)Molar Volume: 106.361 cm3; (13)Polarizability: 17.136 ×10-24cm3; (14)Surface Tension: 81.966 dyne/cm; (15)Density: 1.684 g/cm3; (16)Flash Point: 234.015 °C; (17)Enthalpy of Vaporization: 69.679 kJ/mol; (18)Boiling Point: 463.331 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc[n+]([O-])c2nccc12
(2)InChI: InChI=1/C7H5N3O3/c11-9-4-2-6(10(12)13)5-1-3-8-7(5)9/h1-4,8H
(3)InChIKey: AFJMMGUFUOHNCQ-UHFFFAOYAE