Name: 2-Bromo-4,5-difluoronitrobenzene
SKU: 321-17-5

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Basic Information

Molecular Structure:
CAS No.:	321-17-5
Name:	2-Bromo-4,5-difluoronitrobenzene
Article Data:	6

Formula:	C₆H₂BrF₂NO₂
Molecular Weight:	237.988
Synonyms:	1-Bromo-4,5-difluoro-2-nitrobenzene;2-Bromo-4,5-difluoronitrobenzene;
Density:	1.89 g/cm³
Boiling Point:	226.7 °C at 760 mmHg
Flash Point:	90.9 °C
PSA:	45.82000
LogP:	3.15870

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Specification

The Benzene, 1-bromo-4, 5-difluoro-2-nitro-, with the CAS registry number 321-17-5, is also known as 2-Brom-3, 4-difluor-1-nitrobenzol. It belongs to the product categories of Bromine Compounds; Fluorine Compounds; Nitro Compounds. This chemical's molecular formula is C₆H₂BrF₂NO₂ and molecular weight is 237.9864. What's more, its systematic name is 2-Bromo-3, 4-difluoro-1-nitrobenzene.

Physical properties about Benzene, 1-bromo-4, 5-difluoro-2-nitro- are: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.14; (4)ACD/LogD (pH 7.4): 2.14; (5)ACD/BCF (pH 5.5): 24.76; (6)ACD/BCF (pH 7.4): 24.76; (7)ACD/KOC (pH 5.5): 346.15; (8)ACD/KOC (pH 7.4): 346.15; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 40.47 cm³; (15)Molar Volume: 125.8 cm³; (16)Polarizability: 16.04×10^-24 cm³; (17)Surface Tension: 45.8 dyne/cm; (18)Density: 1.89 g/cm³; (19)Flash Point: 90.9 °C; (20)Enthalpy of Vaporization: 44.44 kJ/mol; (21)Boiling Point: 226.7 °C at 760 mmHg; (22)Vapour Pressure: 0.121 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc([N+]([O-])=O)c(Br)c1F
(2) InChI: InChI=1/C6H2BrF2NO2/c7-5-4(10(11)12)2-1-3(8)6(5)9/h1-2H
(3) InChIKey: OANBJAYTIQWYDQ-UHFFFAOYAO