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132636-13-6

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Basic Information
CAS No.: 132636-13-6
Name: 1-(3-Chloropropoxy)-3-nitrobenzene
Article Data: 5
Molecular Structure:
Molecular Structure of 132636-13-6 (1-(3-Chloropropoxy)-3-nitrobenzene)
Formula: C9H10ClNO3
Molecular Weight: 215.636
Synonyms: 1-(3-chloropropoxy)-3-nitrobenzene;UKRORGSYN-BB BBV-022721
Density: 1.271 g/cm3
Boiling Point: 349.415 °C at 760 mmHg
Flash Point: 165.12 °C
PSA: 55.05000
LogP: 3.12570
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Specification

The Benzene, 1-(3-chloropropoxy)-3-nitro- has the CAS registry number 132636-13-6. This chemical's molecular formula is C9H10ClNO3 and molecular weight is 215.63. What's more, its systematic name is 1-(3-chloropropoxy)-3-nitrobenzene. 

Physical properties of Benzene, 1-(3-chloropropoxy)-3-nitro- are: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 126; (6)ACD/BCF (pH 7.4): 126; (7)ACD/KOC (pH 5.5): 1110; (8)ACD/KOC (pH 7.4): 1110; (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: 1.544; (14)Molar Refractivity: 53.592 cm3; (15)Molar Volume: 169.676 cm3; (16)Polarizability: 21.245×10-24cm3; (17)Surface Tension: 44.176 dyne/cm; (18)Density: 1.271 g/cm3; (19)Flash Point: 165.12 °C; (20)Enthalpy of Vaporization: 57.045 kJ/mol; (21)Boiling Point: 349.415 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc(OCCCCl)c1
(2)InChI: InChI=1S/C9H10ClNO3/c10-5-2-6-14-9-4-1-3-8(7-9)11(12)13/h1,3-4,7H,2,5-6H2
(3)InChIKey: TUVHZIRZPUPODN-UHFFFAOYSA-N