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6299-41-8

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Basic Information
CAS No.: 6299-41-8
Name: N-(1-nitronaphthalen-2-yl)benzamide
Article Data: 2
Molecular Structure:
Molecular Structure of 6299-41-8 (N-(1-nitronaphthalen-2-yl)benzamide)
Formula: C17H12N2O3
Molecular Weight: 292.2888
Synonyms: Benzamide,N-(1-nitro-2-naphthyl)- (8CI);NSC 44659;
Density: 1.364 g/cm3
Boiling Point: 403.2 °C at 760 mmHg
Flash Point: 197.7 °C
PSA: 74.92000
LogP: 4.59650
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Specification

The CAS registry number of Benzamide,N-(1-nitro-2-naphthalenyl)- is 6299-41-8. This chemical's molecular formula is C17H12N2O3 and molecular weight is 292.2888. What's more, its systematic name is N-(1-Nitronaphthalen-2-yl)benzamide.

Physical properties about Benzamide,N-(1-nitro-2-naphthalenyl)- are: (1)ACD/LogP: 4.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 66.13 Å2; (7)Index of Refraction: 1.726; (8)Molar Refractivity: 85.21 cm3; (9)Molar Volume: 214.2 cm3; (10)Polarizability: 33.78×10-24 cm3; (11)Surface Tension: 64 dyne/cm; (12)Density: 1.364 g/cm3; (13)Flash Point: 197.7 °C; (14)Enthalpy of Vaporization: 65.45 kJ/mol; (15)Boiling Point: 403.2 °C at 760 mmHg; (16)Vapour Pressure: 1.03E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c3c(ccc1NC(=O)c2ccccc2)cccc3
(2)InChI: InChI=1/C17H12N2O3/c20-17(13-7-2-1-3-8-13)18-15-11-10-12-6-4-5-9-14(12)16(15)19(21)22/h1-11H,(H,18,20)
(3)InChIKey: LQKIJWZEGBTMHP-UHFFFAOYAY