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79562-49-5

Basic Information
CAS No.: 79562-49-5
Name: 1,3-difluoro-2-methyl-4-nitrobenzene
Article Data: 7
Molecular Structure:
Molecular Structure of 79562-49-5 (1,3-difluoro-2-methyl-4-nitrobenzene)
Formula: C7H5F2NO2
Molecular Weight: 173.119
Synonyms: 1,3-difluoro-2-methyl-4-nitro-benzene
Density: 1.374 g/cm3
Boiling Point: 237.2 °C at 760 mmHg
Flash Point: 108.8 °C
Solubility: Slightly soluble in water.
PSA: 45.82000
LogP: 2.70460
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Specification

The 1,3-Difluoro-2-methyl-4-nitrobenzene is an organic compound with the formula C7H5F2NO2. The systematic name of this chemical is 1,3-difluoro-2-methyl-4-nitro-benzene. With the CAS registry number 79562-49-5, it is also named as benzene, 1,3-difluoro-2-methyl-4-nitro-.

Physical properties about 1,3-Difluoro-2-methyl-4-nitrobenzene are: (1)ACD/LogP: 2.04; (2)ACD/LogD (pH 5.5): 2.04; (3)ACD/LogD (pH 7.4): 2.04; (4)ACD/BCF (pH 5.5): 20.89; (5)ACD/BCF (pH 7.4): 20.89; (6)ACD/KOC (pH 5.5): 306.47; (7)ACD/KOC (pH 7.4): 306.47; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.82 Å2; (11)Index of Refraction: 1.508; (12)Molar Refractivity: 37.61 cm3; (13)Molar Volume: 125.9 cm3; (14)Polarizability: 14.91×10-24cm3; (15)Surface Tension: 38.9 dyne/cm; (16)Density: 1.374 g/cm3; (17)Flash Point: 108.8 °C; (18)Enthalpy of Vaporization: 45.48 kJ/mol; (19)Boiling Point: 237.2 °C at 760 mmHg; (20)Vapour Pressure: 0.07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(ccc(c1F)N(=O)=O)F
(2)InChI: InChI=1/C7H5F2NO2/c1-4-5(8)2-3-6(7(4)9)10(11)12/h2-3H,1H3
(3)InChIKey: AVWNNVJXXMKAPB-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C7H5F2NO2/c1-4-5(8)2-3-6(7(4)9)10(11)12/h2-3H,1H3
(5)Std. InChIKey: AVWNNVJXXMKAPB-UHFFFAOYSA-N