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CAS No.: | 79096-54-1 |
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Name: | 1-(3-Chloropropoxy)-4-nitrobenzene |
Molecular Structure: | |
Formula: | C9H10ClNO3 |
Molecular Weight: | 215.636 |
Synonyms: | 3-Chloropropyl 4-nitrophenyl ether;3-(4-Nitrophenoxy)propyl chloride; |
Density: | 1.271 g/cm3 |
Boiling Point: | 357.514 °C at 760 mmHg |
Flash Point: | 170.019 °C |
PSA: | 55.05000 |
LogP: | 3.12570 |
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The Benzene, 1-(3-chloropropoxy)-4-nitro-, with the CAS registry number 79096-54-1, is also known as 3-(4-Nitrophenoxy)propyl chloride. This chemical's molecular formula is C9H10ClNO3 and molecular weight is 215.63. What's more, its systematic name is 1-(3-chloropropoxy)-4-nitrobenzene.
Physical properties of Benzene, 1-(3-chloropropoxy)-4-nitro- are: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 55.05 Å2; (7)Index of Refraction: 1.544; (8)Molar Refractivity: 53.592 cm3; (9)Molar Volume: 169.676 cm3; (10)Polarizability: 21.245×10-24cm3; (11)Surface Tension: 44.176 dyne/cm; (12)Density: 1.271 g/cm3; (13)Flash Point: 170.019 °C; (14)Enthalpy of Vaporization: 57.913 kJ/mol; (15)Boiling Point: 357.514 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(OCCCCl)cc1
(2)InChI: InChI=1S/C9H10ClNO3/c10-6-1-7-14-9-4-2-8(3-5-9)11(12)13/h2-5H,1,6-7H2
(3)InChIKey: IJKNDFJBFPOWSN-UHFFFAOYSA-N