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Benzene,4-(1,1-dimethylethyl)-2-nitro-1-propoxy- (33353-60-5)

Identification
Name:Benzene,4-(1,1-dimethylethyl)-2-nitro-1-propoxy-
Synonyms:Ether,4-tert-butyl-2-nitrophenyl propyl (8CI);
CAS:33353-60-5
Molecular Formula: C13H19NO3
Molecular Weight: 237.29
InChI: InChI=1/C13H19NO3/c1-5-8-17-12-7-6-10(13(2,3)4)9-11(12)14(15)16/h6-7,9H,5,8H2,1-4H3
Molecular Structure: (C13H19NO3) Ether,4-tert-butyl-2-nitrophenyl propyl (8CI);
Properties
Flash Point: 123 ºC
Boiling Point: 326 ºC
Density:1.054
Refractive index:1.508
Specification:

The 4-tert-Butyl-2-nitrophenyl propyl ether with cas registry number of 33353-60-5, has the systematic name of benzene, 4-(1,1-dimethylethyl)-2-nitro-1-propoxy-. And it is also named benzene, 4-(1,1-dimethylethyl)-2-nitro-1-propoxy-.

Physical properties about this chemical are: (1)ACD/LogP: 4.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.48; (4)ACD/LogD (pH 7.4): 4.48; (5)ACD/BCF (pH 5.5): 1498.23; (6)ACD/BCF (pH 7.4): 1498.23; (7)ACD/KOC (pH 5.5): 6526.46; (8)ACD/KOC (pH 7.4): 6526.46; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 67.12 cm3; (15)Molar Volume: 224.9 cm3; (16)Polarizability: 26.61×10-24cm3; (17)Surface Tension: 34.9 dyne/cm; (18)Enthalpy of Vaporization: 54.56 kJ/mol; (19)Vapour Pressure: 0.000422 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: CCCOc1ccc(cc1[N+](=O)[O-])C(C)(C)C;
(2)InChI: InChI=1/C13H19NO3/c1-5-8-17-12-7-6-10(13(2,3)4)9-11(12)14(15)16/h6-7,9H,5,8H2,1-4H3;
(3)InChIKey: RRCMXYGWDLTFKB-UHFFFAOYAZ;
(4)Std. InChI: InChI=1S/C13H19NO3/c1-5-8-17-12-7-6-10(13(2,3)4)9-11(12)14(15)16/h6-7,9H,5,8H2,1-4H3;
(5)Std. InChIKey: RRCMXYGWDLTFKB-UHFFFAOYSA-N

Flash Point: 123 ºC
Safety Data
 

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