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| CAS No.: | 181073-82-5 |
|---|---|
| Name: | 4-CYANO-2,6-DIFLUOROBENZOIC ACID |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C8H3F2NO2 |
| Molecular Weight: | 183.114 |
| Synonyms: | 4-Cyano-2,6-difluorobenzoicacid; |
| Density: | 1.518 g/cm3 |
| Boiling Point: | 303.895 °C at 760 mmHg |
| Flash Point: | 137.591 °C |
| PSA: | 61.09000 |
| LogP: | 1.53468 |
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Specification
The CAS register number of Benzoic acid,4-cyano-2,6-difluoro- is 181073-82-5. The systematic name about this chemical is 4-cyano-2,6-difluoro-benzoic acid. The molecular formula about this chemical is C8H3F2NO2 and the molecular weight is 183.1117.
Physical properties about Benzoic acid,4-cyano-2,6-difluoro- are: (1)ACD/LogP: 1.39; (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: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 61.09 Å2; (10)Index of Refraction: 1.54; (11)Molar Refractivity: 37.821 cm3; (12)Molar Volume: 120.602 cm3; (13)Polarizability: 14.994x10-24cm3; (14)Surface Tension: 54.833 dyne/cm; (15)Density: 1.518 g/cm3; (16)Flash Point: 137.591 °C; (17)Enthalpy of Vaporization: 57.466 kJ/mol; (18)Boiling Point: 303.895 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cc(c(c1F)C(=O)O)F)C#N
(2)InChI: InChI=1/C8H3F2NO2/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-2H,(H,12,13)
(3)InChIKey: QJDLXGDIYHMIDN-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H3F2NO2/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-2H,(H,12,13)
(5)Std. InChIKey: QJDLXGDIYHMIDN-UHFFFAOYSA-N