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CAS No.: | 50573-74-5 |
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Name: | 2-Amino-6-nitrobenzoic acid |
Article Data: | 44 |
Molecular Structure: | |
Formula: | C7H6N2O4 |
Molecular Weight: | 182.136 |
Synonyms: | Anthranilicacid, 6-nitro- (6CI,7CI);6-Nitroanthranilic acid;NSC 36953; |
Density: | 1.569 g/cm3 |
Melting Point: | 189 °C (decomp) |
Boiling Point: | 412.292 °C at 760 mmHg |
Flash Point: | 203.147 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 109.14000 |
LogP: | 1.97960 |
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The 2-Amino-6-nitrobenzoic acid, with the CAS registry number 50573-74-5, is also known as 6-Nitroanthranilic acid. It belongs to the product category of Amino Acids and Derivatives. This chemical's molecular formula is C7H6N2O4 and molecular weight is 182.13. What's more, its systematic name is 2-Amino-6-nitrobenzoic acid.
Physical properties of 2-Amino-6-nitrobenzoic acid are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.50; (4)ACD/LogD (pH 7.4): -1.79; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 109.14 Å2; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 43.965 cm3; (15)Molar Volume: 116.085 cm3; (16)Polarizability: 17.429×10-24cm3; (17)Surface Tension: 83.3 dyne/cm; (18)Density: 1.569 g/cm3; (19)Flash Point: 203.147 °C; (20)Enthalpy of Vaporization: 70.106 kJ/mol; (21)Boiling Point: 412.292 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(cccc1N)[N+]([O-])=O
(2)Std. InChI: InChI=1S/C7H6N2O4/c8-4-2-1-3-5(9(12)13)6(4)7(10)11/h1-3H,8H2,(H,10,11)
(3)Std. InChIKey: GGKYLHNARFFORH-UHFFFAOYSA-N