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| CAS No.: | 62875-84-7 |
|---|---|
| Name: | ethyl 4-amino-3-iodobenzoate |
| Article Data: | 28 |
| Molecular Structure: | |
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| Formula: | C9H10INO2 |
| Molecular Weight: | 291.088 |
| Synonyms: | 4-Amino-3-iodobenzoic acid, ethyl ester; |
| Density: | 1.73 g/cm3 |
| Melting Point: | 82.6-83.0 °C |
| Boiling Point: | 378.8 °C at 760 mmHg |
| Flash Point: | 182.9 °C |
| PSA: | 52.32000 |
| LogP: | 2.63130 |
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- Total:17 Page 1 of 1 1
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Specification
The Benzoic acid, 4-amino-3-iodo-, ethyl ester, with the CAS registry number 62875-84-7, is also known as 4-Amino-3-iodobenzoic acid, ethyl ester. This chemical's molecular formula is C9H10INO2 and molecular weight is 291.0857. What's more, both its IUPAC name and systematic name are the same which is called Ethyl 4-amino-3-iodobenzoate.
Physical properties about Benzoic acid, 4-amino-3-iodo-, ethyl ester are: (1)ACD/LogP: 3.38; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.38; (4)ACD/LogD (pH 7.4): 3.38; (5)ACD/BCF (pH 5.5): 219.42; (6)ACD/BCF (pH 7.4): 219.42; (7)ACD/KOC (pH 5.5): 1650.04; (8)ACD/KOC (pH 7.4): 1650.05; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 59.8 cm3; (15)Molar Volume: 168.1 cm3; (16)Polarizability: 23.7×10-24 cm3; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.73 g/cm3; (19)Flash Point: 182.9 °C; (20)Enthalpy of Vaporization: 62.68 kJ/mol; (21)Boiling Point: 378.8 °C at 760 mmHg; (22)Vapour Pressure: 6.11E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Ic1cc(C(=O)OCC)ccc1N
(2) InChI: InChI=1/C9H10INO2/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2,11H2,1H3
(3) InChIKey: ICFCBYVKPRHTPR-UHFFFAOYAM