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6227-53-8

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Basic Information
CAS No.: 6227-53-8
Name: 5-Chloro-2-nitroanisole
Molecular Structure:
Molecular Structure of 6227-53-8 (5-Chloro-2-nitroanisole)
Formula: C7H6ClNO3
Molecular Weight: 187.58
Synonyms: 2-Nitro-5-chloroanisole;4-Chloro-2-methoxy-1-nitrobenzene;
Density: 1.366 g/cm3
Boiling Point: 289.1 °C at 760 mmHg
Flash Point: 128.7 °C
PSA: 55.05000
LogP: 2.78000
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Specification

The 5-Chloro-2-nitroanisole, with the CAS registry number 6227-53-8, is also known as 2-Nitro-5-chloroanisole. This chemical's molecular formula is C7H6ClNO3 and molecular weight is 187.58. What's more, its systematic name is 4-Chloro-2-methoxy-1-nitrobenzene.

Physical properties of 5-Chloro-2-nitroanisole are: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 2.61; (5)ACD/BCF (pH 5.5): 57.01; (6)ACD/BCF (pH 7.4): 57.01; (7)ACD/KOC (pH 5.5): 628.85; (8)ACD/KOC (pH 7.4): 628.85; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 44.37 cm3; (15)Molar Volume: 137.2 cm3; (16)Polarizability: 17.59×10-24 cm3; (17)Surface Tension: 44.9 dyne/cm; (18)Density: 1.366 g/cm3; (19)Flash Point: 128.7 °C; (20)Enthalpy of Vaporization: 50.72 kJ/mol; (21)Boiling Point: 289.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00389 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1c(OC)cc(Cl)cc1
(2)InChI: InChI=1/C7H6ClNO3/c1-12-7-4-5(8)2-3-6(7)9(10)11/h2-4H,1H3
(3)InChIKey: ABEUJUYEUCCZQF-UHFFFAOYAD