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Benzene,1-chloro-2,5-diethoxy-4-nitro- (91-43-0)

Identification
Name:Benzene,1-chloro-2,5-diethoxy-4-nitro-
Synonyms:1-Chloro-2,5-diethoxy-4-nitrobenzene;1-Nitro-2,5-diethoxy-4-chlorobenzene;2,5-Diethoxy-4-chloronitrobenzene;NSC 60284;
CAS:91-43-0
EINECS: 202-067-3
Molecular Formula: C10H12ClNO4
Molecular Weight: 245.66
InChI: InChI=1/C10H12ClNO4/c1-3-15-9-6-8(12(13)14)10(16-4-2)5-7(9)11/h5-6H,3-4H2,1-2H3
Molecular Structure: (C10H12ClNO4) 1-Chloro-2,5-diethoxy-4-nitrobenzene;1-Nitro-2,5-diethoxy-4-chlorobenzene;2,5-Diethoxy-4-chloronitro...
Properties
Density:1.264 g/cm3
Refractive index:1.533
Specification:

The CAS register number of 1-Chloro-2,5-diethoxy-4-nitrobenzene is 91-43-0. It also can be called as Benzene,1-chloro-2,5-diethoxy-4-nitro- and the IUPAC name about this chemical is 1-chloro-2,5-diethoxy-4-nitrobenzene. The molecular formula about this chemical is C10H12ClNO4 and the molecular weight is 245.66.

Physical properties about 1-Chloro-2,5-diethoxy-4-nitrobenzene are: (1)ACD/LogP: 3.90; (2)ACD/LogD (pH 5.5): 3.9; (3)ACD/LogD (pH 7.4): 3.9; (4)ACD/BCF (pH 5.5): 537.49; (5)ACD/BCF (pH 7.4): 537.49; (6)ACD/KOC (pH 5.5): 3133.28; (7)ACD/KOC (pH 7.4): 3133.28; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 64.28Å2; (11)Index of Refraction: 1.533; (12)Molar Refractivity: 60.31 cm3; (13)Molar Volume: 194.2 cm3; (14)Polarizability: 23.91x10-24cm3; (15)Surface Tension: 41 dyne/cm; (16)Enthalpy of Vaporization: 59.09 kJ/mol; (17)Boiling Point: 368.4 °C at 760 mmHg; (18)Vapour Pressure: 2.7E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(OCC)c(cc1OCC)[N+]([O-])=O
(2)InChI: InChI=1/C10H12ClNO4/c1-3-15-9-6-8(12(13)14)10(16-4-2)5-7(9)11/h5-6H,3-4H2,1-2H3
(3)InChIKey: HWLDAZMGMQYWGW-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C10H12ClNO4/c1-3-15-9-6-8(12(13)14)10(16-4-2)5-7(9)11/h5-6H,3-4H2,1-2H3
(5)Std. InChIKey: HWLDAZMGMQYWGW-UHFFFAOYSA-N

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