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Basic Information
CAS No.: 14703-88-9
Name: 4-(N-METHYLAMINO)-3-NITRO PHENOL
Molecular Structure:
Molecular Structure of 14703-88-9 (4-(N-METHYLAMINO)-3-NITRO PHENOL)
Formula: C7H8N2O3
Molecular Weight: 168.152
Synonyms: 2-Nitro-4-hydroxy-N-methylaniline;4-(Methylamino)-3-nitrophenol;4-(N-Methylamino)-3-nitro phenol;
Density: 1.411 g/cm3
Boiling Point: 349.2 °C at 760 mmHg
Flash Point: 165 °C
PSA: 78.08000
LogP: 1.93830
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Specification

The Phenol,4-(methylamino)-3-nitro-, with the CAS registry number 14703-88-9, is also known as 2-Nitro-4-hydroxy-N-methylaniline. This chemical's molecular formula is C7H8N2O3 and molecular weight is 168.15. What's more, its systematic name is 4-(Methylamino)-3-nitrophenol and it belongs to the product category of API Intermediates.

Physical properties of Phenol,4-(methylamino)-3-nitro- are: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 25.38; (6)ACD/BCF (pH 7.4): 25.22; (7)ACD/KOC (pH 5.5): 352.32; (8)ACD/KOC (pH 7.4): 350.17; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 78.08 Å2; (13)Index of Refraction: 1.665; (14)Molar Refractivity: 44.28 cm3; (15)Molar Volume: 119.1 cm3; (16)Polarizability: 17.55×10-24 cm3; (17)Surface Tension: 63.7 dyne/cm; (18)Density: 1.411 g/cm3; (19)Flash Point: 165 °C; (20)Enthalpy of Vaporization: 61.71 kJ/mol; (21)Boiling Point: 349.2 °C at 760 mmHg; (22)Vapour Pressure: 2.38E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CNC1=C(C=C(C=C1)O)[N+](=O)[O-]
(2)InChI: InChI=1S/C7H8N2O3/c1-8-6-3-2-5(10)4-7(6)9(11)12/h2-4,8,10H,1H3
(3)InChIKey: DQCLXPYMTDGXPJ-UHFFFAOYSA-N