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Benzenamine, N-methyl-2-nitro-4-phenoxy-

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Name

Benzenamine, N-methyl-2-nitro-4-phenoxy-

EINECS N/A
CAS No. 23042-47-9 Density 1.276 g/cm3
PSA 67.08000 LogP 4.02500
Solubility N/A Melting Point N/A
Formula C13H12N2O3 Boiling Point 378.6 °C at 760 mmHg
Molecular Weight 244.25 Flash Point 182.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 23042-47-9 (N-methyl-2-nitro-4-phenoxy-aniline) Hazard Symbols N/A
Synonyms

Aniline,N-methyl-2-nitro-4-phenoxy- (8CI);

 

Benzenamine, N-methyl-2-nitro-4-phenoxy- Specification

The Benzenamine, N-methyl-2-nitro-4-phenoxy-, with the CAS registry number of 23042-47-9, is also known as Aniline,N-methyl-2-nitro-4-phenoxy- (8CI). This chemical's molecular formula is C13H12N2O3 and molecular weight is 244.25. What's more, its IUPAC name is N-Methyl-2-nitro-4-phenoxyaniline.

Physical properties about the Benzenamine, N-methyl-2-nitro-4-phenoxy- are: (1)ACD/LogP: 4.62; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 58.29 Å2; (7)Index of Refraction: 1.639; (8)Molar Refractivity: 68.85 cm3; (9)Molar Volume: 191.3 cm3; (10)Surface Tension: 51.6 dyne/cm; (11)Density: 1.276 g/cm3; (12)Flash Point: 182.8 °C; (13)Enthalpy of Vaporization: 62.65 kJ/mol; (14)Boiling Point: 378.6 °C at 760 mmHg; (15)Vapour Pressure: 6.23E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2c(ccc(Oc1ccccc1)c2)NC
(2) InChI: InChI=1/C13H12N2O3/c1-14-12-8-7-11(9-13(12)15(16)17)18-10-5-3-2-4-6-10/h2-9,14H,1H3
(3) InChIKey: YBZDGUKDRPGRLP-UHFFFAOYAW

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