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| CAS No.: | 83141-11-1 |
|---|---|
| Name: | 3-AMINO-2,6-DIFLUOROBENZOIC ACID |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C7H5F2NO2 |
| Molecular Weight: | 173.119 |
| Synonyms: | 3-Amino-2,6-difluorobenzoicacid; |
| Density: | 1.536 g/cm3 |
| Boiling Point: | 315.9 °C at 760 mmHg |
| Flash Point: | 144.9 °C |
| PSA: | 63.32000 |
| LogP: | 1.82640 |
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Specification
The 3-Amino-2,6-difluorobenzoic acid, with the CAS registry number 83141-11-1, is also known as Benzoic acid, 3-amino-2,6-difluoro-. This chemical's molecular formula is C7H5F2NO2 and molecular weight is 173.12. Its systematic name is called 3-Amino-2,6-difluorobenzoic acid.
Physical properties about this chemical are: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.578; (11)Molar Refractivity: 37.4 cm3; (12)Molar Volume: 112.6 cm3; (13)Surface Tension: 56.9 dyne/cm; (14)Density: 1.536 g/cm3; (15)Flash Point: 144.9 °C; (16)Enthalpy of Vaporization: 58.83 kJ/mol; (17)Boiling Point: 315.9 °C at 760 mmHg; (18)Vapour Pressure: 0.000179 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(C(O)=O)c(F)ccc1N
(2)InChI: InChI=1/C7H5F2NO2/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2H,10H2,(H,11,12)
(3)InChIKey: ORSUTLAFOCNIDY-UHFFFAOYAJ