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CAS No.: | 874-44-2 |
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Name: | 6-nitrobicyclo[2.2.1]hept-2-ene |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C7H9NO2 |
Molecular Weight: | 139.15 |
Synonyms: | 2-Norbornene,5-nitro-, endo- (8CI);Bicyclo[2.2.1]hept-2-ene, 5-nitro-, endo-;5-endo-Nitrobicyclo[2.2.1]hept-2-ene;5-endo-Nitronorbornene;NSC 16141;NSC92358;endo-5-Nitro-2-norbornene; |
Density: | 1.21 g/cm3 |
Boiling Point: | 228.5 °C at 760 mmHg |
Flash Point: | 102.6 °C |
PSA: | 45.82000 |
LogP: | 1.75090 |
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This chemical is called 6-Nitrobicyclo[2.2.1]hept-2-ene, and its systematic name is 5-nitrobicyclo[2.2.1]hept-2-ene. With the molecular formula of C7H9NO2, its molecular weight is 139.15. The CAS registry number of this chemical is 874-44-2.
Other characteristics of the 6-Nitrobicyclo[2.2.1]hept-2-ene can be summarised as followings: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 45.82 Å2; (7)Index of Refraction: 1.545; (8)Molar Refractivity: 36.24 cm3; (9)Molar Volume: 114.5 cm3; (10)Polarizability: 14.37×10-24cm3; (11)Surface Tension: 42 dyne/cm; (12)Density: 1.21 g/cm3; (13)Flash Point: 102.6 °C; (14)Enthalpy of Vaporization: 46.51 kJ/mol; (15)Boiling Point: 228.5 °C at 760 mmHg; (16)Vapour Pressure: 0.0731 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=[N+]([O-])C2C1\C=C/C(C1)C2
2.InChI: InChI=1/C7H9NO2/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2
3.InChIKey: DXTVIYLGTPEMKI-UHFFFAOYAG
4.Std. InChI: InChI=1S/C7H9NO2/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2
5.Std. InChIKey: DXTVIYLGTPEMKI-UHFFFAOYSA-N