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35588-36-4

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Basic Information
CAS No.: 35588-36-4
Name: 2-CHLORO-N-(2-METHYL-5-NITROPHENYL)ACETAMIDE
Article Data: 4
Molecular Structure:
Molecular Structure of 35588-36-4 (2-CHLORO-N-(2-METHYL-5-NITROPHENYL)ACETAMIDE)
Formula: C9H9ClN2O3
Molecular Weight: 228.635
Synonyms: o-Acetotoluide,alpha-chloro-5-nitro- (1CI);o-Acetotoluidide, 2-chloro-5'-nitro- (6CI);
Density: 1.411 g/cm3
Boiling Point: 406 °C at 760 mmHg
Flash Point: 199.3 °C
PSA: 74.92000
LogP: 2.67670
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Specification

The Acetamide,2-chloro-N-(2-methyl-5-nitrophenyl)-, with the CAS registry number 35588-36-4, is also known as o-Acetotoluidide, 2-chloro-5'-nitro- (6CI). This chemical's molecular formula is C9H9ClN2O3and molecular weight is 228.63. What's more, its IUPAC name is 2-chloro-N-(2-methyl-5-nitrophenyl)acetamide.

Physical properties of Acetamide,2-chloro-N-(2-methyl-5-nitrophenyl)- are: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.48; (4)ACD/BCF (pH 5.5): 44.9; (5)ACD/KOC (pH 5.5): 530; (6)ACD/KOC (pH 7.4): 529.99; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 66.13 Å2; (11)Index of Refraction: 1.617; (12)Molar Refractivity: 56.74 cm3; (13)Molar Volume: 162 cm3; (14)Surface Tension: 55.6 dyne/cm; (15)Density: 1.411 g/cm3; (16)Flash Point: 199.3 °C; (17)Enthalpy of Vaporization: 65.76 kJ/mol; (18)Boiling Point: 406 °C at 760 mmHg; (19)Vapour Pressure: 8.43E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCl
(2)InChI: InChI=1S/C9H9ClN2O3/c1-6-2-3-7(12(14)15)4-8(6)11-9(13)5-10/h2-4H,5H2,1H3,(H,11,13)
(3)InChIKey: YXLQFQSJHDHMLY-UHFFFAOYSA-N