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3400-26-8

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Basic Information
CAS No.: 3400-26-8
Name: N-methyl-3-nitrobenzamide
Article Data: 12
Molecular Structure:
Molecular Structure of 3400-26-8 (N-methyl-3-nitrobenzamide)
Formula: C8H8N2O3
Molecular Weight: 180.163
Synonyms: Benzamide,N-methyl-m-nitro- (6CI,7CI,8CI);N-Methyl-3-nitrobenzamide;N-Methyl-m-nitrobenzamide;NSC 7097;
Density: 1.272 g/cm3
Boiling Point: 357.2 °C at 760 mmHg
Flash Point: 169.9 °C
PSA: 74.92000
LogP: 1.86850
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Specification

The Benzamide,N-methyl-3-nitro- is an organic compound with the formula C8H8N2O3. The IUPAC name of this chemical is N-Methyl-3-nitrobenzamide. With the CAS registry number 3400-26-8, it is also named as N-Methyl(3-nitrophenyl)carboxamide. Besides, its molecular weight is 180.1607.

Physical properties about Benzamide,N-methyl-3-nitro- are: (1)ACD/LogP: 0.77; (2)ACD/LogD (pH 5.5): 0.77; (3)ACD/LogD (pH 7.4): 0.77; (4)ACD/BCF (pH 5.5): 2.27; (5)ACD/BCF (pH 7.4): 2.27; (6)ACD/KOC (pH 5.5): 62.58; (7)ACD/KOC (pH 7.4): 62.58; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 66.13 Å2; (12)Index of Refraction: 1.569; (13)Molar Refractivity: 46.42 cm3; (14)Molar Volume: 141.6 cm3; (15)Polarizability: 18.4×10-24 cm3; (16)Surface Tension: 49.6 dyne/cm; (17)Density: 1.272 g/cm3; (18)Flash Point: 169.9 °C; (19)Enthalpy of Vaporization: 60.26 kJ/mol; (20)Boiling Point: 357.2 °C at 760 mmHg; (21)Vapour Pressure: 2.76E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H8N2O3/c1-9-8(11)6-3-2-4-7(5-6)10(12)13/h2-5H,1H3,(H,9,11)
(2)InChIKey: KKNRKRLMGLMZDK-UHFFFAOYAG
(3)Std. InChI: InChI=1S/C8H8N2O3/c1-9-8(11)6-3-2-4-7(5-6)10(12)13/h2-5H,1H3,(H,9,11)
(4)Std. InChIKey: KKNRKRLMGLMZDK-UHFFFAOYSA-N