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78180-08-2

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Basic Information
CAS No.: 78180-08-2
Name: 2-CHLORO-N-(2-METHYL-6-NITROPHENYL)ACETAMIDE
Molecular Structure:
Molecular Structure of 78180-08-2 (2-CHLORO-N-(2-METHYL-6-NITROPHENYL)ACETAMIDE)
Formula: C9H9ClN2O3
Molecular Weight: 228.635
Synonyms: ZINC 04218980;
Density: 1.411 g/cm3
Boiling Point: 406.8 °C at 760 mmHg
Flash Point: 199.8 °C
PSA: 78.41000
LogP: 3.25320
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    2-CHLORO-N-(2-METHYL-6-NITROPHENYL)ACETAMIDEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The 2-Chloro-N-(2-methyl-6-nitro-phenyl)acetamide, with the CAS registry number 78180-08-2, is also known as ZINC 04218980. This chemical's molecular formula is C9H9ClN2O3 and molecular weight is 228.6324. What's more, its IUPAC name is 2-Chloro-N-(2-methyl-6-nitrophenyl)acetamide.

Physical properties about 2-Chloro-N-(2-methyl-6-nitro-phenyl)acetamide are: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.01; (4)ACD/LogD (pH 7.4): 2.01; (5)ACD/BCF (pH 5.5): 19.73; (6)ACD/BCF (pH 7.4): 19.72; (7)ACD/KOC (pH 5.5): 294.17; (8)ACD/KOC (pH 7.4): 294.15; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 66.13 Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 56.74 cm3; (15)Molar Volume: 162 cm3; (16)Polarizability: 22.49×10-24 cm3; (17)Surface Tension: 55.6 dyne/cm; (18)Density: 1.411 g/cm3; (19)Flash Point: 199.8 °C; (20)Enthalpy of Vaporization: 65.86 kJ/mol; (21)Boiling Point: 406.8 °C at 760 mmHg; (22)Vapour Pressure: 7.92E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1c(cccc1C)[N+]([O-])=O)CCl
(2) InChI: InChI=1/C9H9ClN2O3/c1-6-3-2-4-7(12(14)15)9(6)11-8(13)5-10/h2-4H,5H2,1H3,(H,11,13)
(3) InChIKey: HHQVWQLHIHVNGR-UHFFFAOYAM