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34859-82-0

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Basic Information
CAS No.: 34859-82-0
Name: 4-NITRO-4'-T-BUTYL DIPHENYL ETHER
Article Data: 17
Molecular Structure:
Molecular Structure of 34859-82-0 (4-NITRO-4'-T-BUTYL DIPHENYL ETHER)
Formula: C16H17NO3
Molecular Weight: 271.316
Synonyms: 4-(4-tert-Butylphenoxy)nitrobenzene;4-Nitro-4'-tert-butyldiphenyl ether;4-tert-Butylphenyl 4-nitrophenyl ether;p-tert-Butylphenyl p-nitrophenyl ether;
Density: 1.137 g/cm3
Boiling Point: 364.5 °C at 760 mmHg
Flash Point: 138.3 °C
PSA: 55.05000
LogP: 5.20780
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Specification

The CAS register number of 4-Nitro-4'-tert-butyldiphenyl ether is 34859-82-0. It also can be called as Benzene,1-(1,1-dimethylethyl)-4-(4-nitrophenoxy)- and the systematic name about this chemical is 1-tert-butyl-4-(4-nitrophenoxy)benzene.

Physical properties about 4-Nitro-4'-tert-butyldiphenyl ether are: (1)ACD/LogP: 5.62; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 55.05Å2; (6)Index of Refraction: 1.564; (7)Molar Refractivity: 77.62 cm3; (8)Molar Volume: 238.5 cm3; (9)Polarizability: 30.77x10-24cm3; (10)Surface Tension: 40.5 dyne/cm; (11)Enthalpy of Vaporization: 58.67 kJ/mol; (12)Boiling Point: 364.5 °C at 760 mmHg; (13)Vapour Pressure: 3.51E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc(Oc1ccc(cc1)C(C)(C)C)cc2
(2)InChI: InChI=1/C16H17NO3/c1-16(2,3)12-4-8-14(9-5-12)20-15-10-6-13(7-11-15)17(18)19/h4-11H,1-3H3
(3)InChIKey: ZWOYWHYRFBLDEV-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C16H17NO3/c1-16(2,3)12-4-8-14(9-5-12)20-15-10-6-13(7-11-15)17(18)19/h4-11H,1-3H3
(5)Std. InChIKey: ZWOYWHYRFBLDEV-UHFFFAOYSA-N