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| CAS No.: | 914223-43-1 |
|---|---|
| Name: | 3-AMINO-2-FLUOROBENZOIC ACID |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C7H6FNO2 |
| Molecular Weight: | 155.129 |
| Synonyms: | 3-Amino-2-fluorobenzoicacid; |
| EINECS: | 1533716-785-6 |
| Density: | 1.43 g/cm3 |
| Boiling Point: | 325.9 °C at 760 mmHg |
| Flash Point: | 150.9 °C |
| PSA: | 63.32000 |
| LogP: | 1.68730 |
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Specification
The Benzoicacid, 3-amino-2-fluoro-, with the CAS registry number 914223-43-1, is also known as 2-Amino-6-fluorobenzoic acid. This chemical's molecular formula is C7H6FNO2 and molecular weight is 155.126443. Its IUPAC name is called 3-amino-2-fluorobenzoic acid.
Physical properties of Benzoicacid, 3-amino-2-fluoro-: (1)ACD/LogP: 1.03; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.606; (10)Molar Refractivity: 37.41 cm3; (11)Molar Volume: 108.4 cm3; (12)Surface Tension: 60.4 dyne/cm; (13)Density: 1.43 g/cm3; (14)Flash Point: 150.9 °C; (15)Enthalpy of Vaporization: 59.96 kJ/mol; (16)Boiling Point: 325.9 °C at 760 mmHg; (17)Vapour Pressure: 9.12E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1)N)F)C(=O)O
(2)InChI: InChI=1S/C7H6FNO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,9H2,(H,10,11)
(3)InChIKey: WZCZMWMNVHEBCK-UHFFFAOYSA-N