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Benzoic acid,2-(aminocarbonyl)-3-nitro- (77326-45-5)

Identification
Name:Benzoic acid,2-(aminocarbonyl)-3-nitro-
Synonyms:2-(Aminocarbonyl)-3-nitrobenzoicacid;3-Nitrophthalamic acid;NSC 519708;
CAS:77326-45-5
Molecular Formula: C8H6N2O5
Molecular Weight: 210.14
InChI: InChI=1/C8H6N2O5/c9-7(11)6-4(8(12)13)2-1-3-5(6)10(14)15/h1-3H,(H2,9,11)(H,12,13)
Molecular Structure: (C8H6N2O5) 2-(Aminocarbonyl)-3-nitrobenzoicacid;3-Nitrophthalamic acid;NSC 519708;
Properties
Density:1.585 g/cm3
Refractive index:1.655
Specification:

The 2-Aminocarbonyl-3-nitrobenzoic acid is a kind of aromatics with the fomular C8H6N2O5. The systematic name of this product is 2-carbamoyl-3-nitrobenzoic acid . With the CAS registry number 77326-45-5, it is also named as Benzoic acid, 2-(aminocarbonyl)-3-nitro- ; 2-(Aminocarbonyl)-3-nitrobenzoic acid . 2-Aminocarbonyl-3-nitrobenzoic acid can be used as drug intermediates. 

The other characteristics of this product can be summarized as: (1)ACD/BCF (pH 5.5): 1 ; (2)ACD/BCF (pH 7.4): 1 ; (3)ACD/KOC (pH 5.5): 1 ; (4)ACD/KOC (pH 7.4): 1 ; (5)#H bond acceptors: 7 ; (6)#H bond donors: 3 ; (7)#Freely Rotating Bonds: 3 ; (8)Index of Refraction: 1.655 ; (9)Molar Refractivity: 48.65 cm3 ; (10)Molar Volume: 132.5 cm3 ; (11)Polarizability: 19.28×10-24cm3 ; (12)Surface Tension: 82.4 dyne/cm ; (13)Enthalpy of Vaporization: 68.46 kJ/mol ; (14)Vapour Pressure: 4.57E-07 mmHg at 25°C. 

People can use the following data to convert to the molecule structure. SMILES: O=[N+]([O-])c1cccc(c1C(=O)N)C(=O)O; InChI: InChI=1/C8H6N2O5/c9-7(11)6-4(8(12)13)2-1-3-5(6)10(14)15/h1-3H,(H2,9,11)(H,12,13). 2-Aminocarbonyl-3-nitrobenzoic acid has many suppliers, such as Nanjing Feihe Pharma Tech Co., Ltd..

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