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CAS No.: | 13565-36-1 |
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Name: | 1-N-HEPTYLOXY-4-NITROBENZENE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C13H19NO3 |
Molecular Weight: | 237.299 |
Synonyms: | Heptyl 4-nitrophenyl ether;p-Heptyloxynitrobenzene;p-Nitrophenyl Heptyl Ether;4-Heptyloxy-1-nitrobenzene; |
Density: | 1.057 g/cm3 |
Boiling Point: | 352 °C at 760 mmHg |
Flash Point: | 140.1 °C |
PSA: | 55.05000 |
LogP: | 4.46720 |
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The Benzene,1-(heptyloxy)-4-nitro-, with the CAS registry number 13565-36-1, is also known as Heptyl 4-nitrophenyl ether. This chemical's molecular formula is C13H19NO3 and molecular weight is 237.29. What's more, its IUPAC name is 1-heptoxy-4-nitrobenzene.
Physical properties of Benzene,1-(heptyloxy)-4-nitro- are: (1)ACD/LogP: 5.22; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.22; (4)ACD/LogD (pH 7.4): 5.22; (5)ACD/BCF (pH 5.5): 5441.97; (6)ACD/BCF (pH 7.4): 5441.97; (7)ACD/KOC (pH 5.5): 16430.33; (8)ACD/KOC (pH 7.4): 16430.33; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 67.27 cm3; (15)Molar Volume: 224.3 cm3; (16)Polarizability: 26.66×10-24cm3; (17)Surface Tension: 38.3 dyne/cm; (18)Density: 1.057 g/cm3; (19)Flash Point: 140.1 °C; (20)Enthalpy of Vaporization: 57.32 kJ/mol; (21)Boiling Point: 352 °C at 760 mmHg; (22)Vapour Pressure: 8.02E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(OCCCCCCC)cc1
(2)Std. InChI: InChI=1S/C13H19NO3/c1-2-3-4-5-6-11-17-13-9-7-12(8-10-13)14(15)16/h7-10H,2-6,11H2,1H3
(3)Std. InChIKey: AVDKYVSWJDZALX-UHFFFAOYSA-N