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Selenophene, 2-nitro-

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Name

Selenophene, 2-nitro-

EINECS N/A
CAS No. 15429-04-6 Density N/A
PSA 45.82000 LogP 1.17500
Solubility N/A Melting Point N/A
Formula C4H3NO2Se Boiling Point 232.8 °C at 760 mmHg
Molecular Weight 176.033 Flash Point 94.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 15429-04-6 (2-nitroselenophene) Hazard Symbols N/A
Synonyms

2-Nitroselenophene;

 

Selenophene, 2-nitro- Specification

The Selenophene, 2-nitro- is an organic compound with the formula C4H3NO2Se. With the CAS registry number 15429-04-6, the IUPAC name of this chemical is 2-nitroselenophene.

Physical properties about Selenophene, 2-nitro- are: (1)ACD/LogP: 1.22; (2)ACD/LogD (pH 5.5): 1.22; (3)ACD/LogD (pH 7.4): 1.22; (4)ACD/BCF (pH 5.5): 5; (5)ACD/BCF (pH 7.4): 5; (6)ACD/KOC (pH 5.5): 110.13; (7)ACD/KOC (pH 7.4): 110.13; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.82 Å2; (11)Flash Point: 94.6 °C; (12)Enthalpy of Vaporization: 45.05 kJ/mol; (13)Boiling Point: 232.8 °C at 760 mmHg; (14)Vapour Pressure: 0.0879 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1[se]ccc1
(2)InChI: InChI=1/C4H3NO2Se/c6-5(7)4-2-1-3-8-4/h1-3H
(3)InChIKey: NTGDQUUAYXNMDR-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C4H3NO2Se/c6-5(7)4-2-1-3-8-4/h1-3H
(5)Std. InChIKey: NTGDQUUAYXNMDR-UHFFFAOYSA-N

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