CAS No.443882-99-3,3-Chloro-4-(3-fluorobenzyloxy)nitrobenzene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	443882-99-3
Name:	3-Chloro-4-(3-fluorobenzyloxy)nitrobenzene
Article Data:	36

Formula:	C₁₃H₉ClFNO₃
Molecular Weight:	281.671
Synonyms:	2-Chloro-1-[(3-fluorobenzyl)oxy]-4-nitrobenzene;2-Chloro-4-nitrophenyl 3-fluorobenzyl ether;2-chloro-1-(3-fluorobenzyloxy)-4-nitrobenzene;benzene, 2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitro-;
Density:	1.393 g/cm³
Melting Point:	99.0 to 103.0 °C
Boiling Point:	400.5 °C at 760 mmHg
Flash Point:	196 °C
PSA:	55.05000
LogP:	4.48950

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Specification

The 3-Chloro-4-(3-fluorobenzyloxy)nitrobenzene, with the CAS registry number 443882-99-3, is also known as Benzene, 2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitro-. This chemical's molecular formula is C₁₃H₉ClFNO₃ and molecular weight is 281.67. Its systematic name is called 2-chloro-1-[(3-fluorobenzyl)oxy]-4-nitrobenzene.

Physical properties of 3-Chloro-4-(3-fluorobenzyloxy)nitrobenzene: (1)ACD/LogP: 4.38; (2)ACD/LogD (pH 5.5): 4.38; (3)ACD/LogD (pH 7.4): 4.38; (4)ACD/BCF (pH 5.5): 1247.82; (5)ACD/BCF (pH 7.4): 1247.82; (6)ACD/KOC (pH 5.5): 5725.64; (7)ACD/KOC (pH 7.4): 5725.64; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.596; (11)Molar Refractivity: 68.85 cm³; (12)Molar Volume: 202.1 cm³; (13)Surface Tension: 48.9 dyne/cm; (14)Density: 1.393 g/cm³; (15)Flash Point: 196 °C; (16)Enthalpy of Vaporization: 62.6 kJ/mol; (17)Boiling Point: 400.5 °C at 760 mmHg; (18)Vapour Pressure: 2.92E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(ccc2OCc1cccc(F)c1)[N+]([O-])=O
(2)InChI: InChI=1/C13H9ClFNO3/c14-12-7-11(16(17)18)4-5-13(12)19-8-9-2-1-3-10(15)6-9/h1-7H,8H2
(3)InChIKey: SFTHVDYRPHJAND-UHFFFAOYAI