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CAS No.: | 20776-54-9 |
---|---|
Name: | 2-Amino-4-iodobenzoic acid |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C7H6INO2 |
Molecular Weight: | 263.035 |
Synonyms: | 2-AMINO-4-IODOBENZOIC ACID |
Density: | 2.082 g/cm3 |
Melting Point: | 208 °C (decomp)(Solv: ethanol (64-17-5)) |
Boiling Point: | 377.02 °C at 760 mmHg |
Flash Point: | 181.815 °C |
PSA: | 63.32000 |
LogP: | 2.15280 |
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This chemical is called 2-Amino-4-iodobenzoic acid, and it can also be named as Benzoic acid, 2-amino-4-iodo-. With the molecular formula of C7H6INO2, its molecular weight is 263.03. The CAS registry number of this chemical is 20776-54-9.
Other characteristics of the 2-Amino-4-iodobenzoic acid can be summarised as followings: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 82; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 63.32 Å2; (13)Index of Refraction: 1.728; (14)Molar Refractivity: 50.326 cm3; (15)Molar Volume: 126.316 cm3; (16)Polarizability: 19.951×10-24cm3; (17)Surface Tension: 74.29 dyne/cm; (18)Density: 2.082 g/cm3; (19)Flash Point: 181.815 °C; (20)Enthalpy of Vaporization: 65.903 kJ/mol; (21)Boiling Point: 377.02 °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)c1ccc(I)cc1N
2.InChI: InChI=1/C7H6INO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)
3.InChIKey: KWIIUIVETQQQHX-UHFFFAOYAN