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54381-13-4

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Basic Information
CAS No.: 54381-13-4
Name: N-(4-METHOXYPHENYL)-2-NITROBENZENAMINE
Article Data: 40
Molecular Structure:
Molecular Structure of 54381-13-4 (N-(4-METHOXYPHENYL)-2-NITROBENZENAMINE)
Formula: C13H12N2O3
Molecular Weight: 244.25
Synonyms: (4-Methoxyphenyl)(2-nitrophenyl)amine;2-Nitro-N-(4-methoxyphenyl)benzenamine;4'-Methoxy-2-nitrodiphenylamine;N-(2-Nitrophenyl)-p-anisidine;
Density: 1.276 g/cm3
Melting Point: 89 °C
Boiling Point: 387.9 °C at 760 mmHg
Flash Point: 188.4 °C
PSA: 67.08000
LogP: 3.94320
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Specification

The Benzenamine,N-(4-methoxyphenyl)-2-nitro-, with the CAS registry number 54381-13-4, is also known as 4-Methoxy-2'-nitrodiphenylamine. This chemical's molecular formula is C13H12N2O3 and molecular weight is 244.246. Its systematic name is called N-(4-methoxyphenyl)-2-nitroaniline.

Physical properties of Benzenamine,N-(4-methoxyphenyl)-2-nitro-: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.35; (4)ACD/LogD (pH 7.4): 3.35; (5)ACD/BCF (pH 5.5): 206.54; (6)ACD/BCF (pH 7.4): 206.54; (7)ACD/KOC (pH 5.5): 1580.13; (8)ACD/KOC (pH 7.4): 1580.13; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.639; (13)Molar Refractivity: 68.85 cm3; (14)Molar Volume: 191.3 cm3; (15)Surface Tension: 51.6 dyne/cm; (16)Density: 1.276 g/cm3; (17)Flash Point: 188.4 °C; (18)Enthalpy of Vaporization: 63.71 kJ/mol; (19)Boiling Point: 387.9 °C at 760 mmHg; (20)Vapour Pressure: 3.18E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccccc2Nc1ccc(OC)cc1
(2)InChI: InChI=1/C13H12N2O3/c1-18-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15(16)17/h2-9,14H,1H3
(3)InChIKey: JLIRPISIPQMEDU-UHFFFAOYAH