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Basic Information
CAS No.: 36556-55-5
Name: 1-chloro-3,5-difluoro-2-nitrobenzene
Molecular Structure:
Molecular Structure of 36556-55-5 (1-chloro-3,5-difluoro-2-nitrobenzene)
Formula: C6H2ClF2NO2
Molecular Weight: 193.537
Synonyms: 1-Chloro-3,5-difluoro-2-nitrobenzene;
EINECS: 253-100-3
Density: 1.591g/cm3
Boiling Point: 237.4 °C at 760 mmHg
Flash Point: 97.4 °C
PSA: 45.82000
LogP: 3.04960
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Specification

The Benzene, 1-chloro-3, 5-difluoro-2-nitro- has CAS registry number 36556-55-5. And its EINECS registry number is 253-100-3. This chemical's molecular formula is C6H2ClF2NO2 and molecular weight is 193.5354. What's more, its IUPAC name is 1-Chloro-3, 5-difluoro-2-nitrobenzene.

Physical properties about Benzene, 1-chloro-3, 5-difluoro-2-nitro- are: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.08; (4)ACD/LogD (pH 7.4): 1.08; (5)ACD/BCF (pH 5.5): 3.92; (6)ACD/BCF (pH 7.4): 3.92; (7)ACD/KOC (pH 5.5): 92.6; (8)ACD/KOC (pH 7.4): 92.6; (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: 1.531; (14)Molar Refractivity: 37.68 cm3; (15)Molar Volume: 121.6 cm3; (16)Polarizability: 14.93×10-24 cm3; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.591 g/cm3; (19)Flash Point: 97.4 °C; (20)Enthalpy of Vaporization: 45.5 kJ/mol; (21)Boiling Point: 237.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0692 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1c(F)cc(F)cc1Cl
(2) InChI: InChI=1/C6H2ClF2NO2/c7-4-1-3(8)2-5(9)6(4)10(11)12/h1-2H
(3) InChIKey: MWYQVPGRHISKQU-UHFFFAOYAT