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| CAS No.: | 20776-55-0 |
|---|---|
| Name: | 2-amino-3-iodo-benzoic acid |
| Article Data: | 5 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C7H6INO2 |
| Molecular Weight: | 263.035 |
| Synonyms: | Anthranilic acid, 3-iodo- (8CI);2-Amino-3-iodobenzoicacid;3-Iodoanthranilic acid;NSC 135149; |
| Density: | 2.082g/cm3 |
| Melting Point: | 137 °C |
| Boiling Point: | 366.5 °C at 760 mmHg |
| Flash Point: | 175.5 °C |
| PSA: | 63.32000 |
| LogP: | 2.15280 |
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Specification
The 2-Amino-3-iodobenzoic acid, with CAS registry number 20776-55-0, has the systematic name of 2-amino-3-iodobenzoic acid. And its IUPAC name is the same one. What's more, the chemical formula of this chemical is C7H6INO2.
Physical properties of 2-Amino-3-iodobenzoic acid: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/BCF (pH 5.5): 3.53; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 36.38; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.728; (13)Molar Refractivity: 50.32 cm3; (14)Molar Volume: 126.3 cm3; (15)Polarizability: 19.95×10-24cm3; (16)Surface Tension: 74.2 dyne/cm; (17)Enthalpy of Vaporization: 64.67 kJ/mol; (18)Vapour Pressure: 5.13E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cccc(C(=O)O)c1N
(2)InChI: InChI=1/C7H6INO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11)
(3)InChIKey: NPQWFVGQIVTULM-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C7H6INO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11)
(5)Std. InChIKey: NPQWFVGQIVTULM-UHFFFAOYSA-N