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102236-25-9

Basic Information
CAS No.: 102236-25-9
Name: 2-(2-Chloroethoxy)nitrobenzene
Article Data: 7
Molecular Structure:
Molecular Structure of 102236-25-9 (2-(2-Chloroethoxy)nitrobenzene)
Formula: C8H8ClNO3
Molecular Weight: 201.609
Synonyms: 2-(2-CHLOROETHOXY)NITROBENZENE;UKRORGSYN-BB BBV-1775312
Density: 1.316 g/cm3
Boiling Point: 322.4 °C at 760 mmHg
Flash Point: 148.8 °C
PSA: 55.05000
LogP: 2.73560
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Specification

This chemical is called 2-(2-Chloroethoxy)nitrobenzene, and its systematic name is 1-(2-chloroethoxy)-2-nitrobenzene. With the molecular formula of C8H8ClNO3, its molecular weight is 201.607. The CAS registry number of this chemical is 102236-25-9.

Other characteristics of the 2-(2-Chloroethoxy)nitrobenzene can be summarised as followings: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 2.19; (5)ACD/BCF (pH 5.5): 27.13; (6)ACD/BCF (pH 7.4): 27.13; (7)ACD/KOC (pH 5.5): 369.53; (8)ACD/KOC (pH 7.4): 369.53; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 48.95 cm3; (15)Molar Volume: 153.1 cm3; (16)Polarizability: 19.4×10-24cm3; (17)Surface Tension: 45.4 dyne/cm; (18)Density: 1.316 g/cm3; (19)Flash Point: 148.8 °C; (20)Enthalpy of Vaporization: 54.18 kJ/mol; (21)Boiling Point: 322.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000528 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: [O-][N+](=O)c1ccccc1OCCCl
2.InChI: InChI=1/C8H8ClNO3/c9-5-6-13-8-4-2-1-3-7(8)10(11)12/h1-4H,5-6H2
3.InChIKey: KHBLKVSJKHHJJP-UHFFFAOYAL