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| CAS No.: | 757247-99-7 |
|---|---|
| Name: | 4-Amino-3-Fluoro-2-Chlorobenzonitrile |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C7H4ClFN2 |
| Molecular Weight: | 170.574 |
| Synonyms: | 4-Amino-2-chloro-3-fluorobenzonitrile; |
| Density: | 1.427 g/cm3 |
| Boiling Point: | 320.092 °C at 760 mmHg |
| Flash Point: | 147.387 °C |
| PSA: | 49.81000 |
| LogP: | 2.51418 |
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- Total:26 Page 1 of 1 1
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Specification
The CAS registry number of 4-Amino-2-chloro-3-fluorobenzonitrile is 757247-99-7. This chemical's molecular formula is C7H4ClFN2 and molecular weight is 170.5715. What's more, its systematic name is called 4-Amino-2-chloro-3-fluoro-benzonitrile.
Physical properties about 4-Amino-2-chloro-3-fluorobenzonitrile are: (1)ACD/LogP: 1.82; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.82; (4)ACD/LogD (pH 7.4): 1.82; (5)ACD/BCF (pH 5.5): 14.219; (6)ACD/BCF (pH 7.4): 14.219; (7)ACD/KOC (pH 5.5): 232.731; (8)ACD/KOC (pH 7.4): 232.731; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 49.81 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 39.878 cm3; (15)Molar Volume: 119.562 cm3; (16)Polarizability: 15.809×10-24 cm3; (17)Surface Tension: 54.904 dyne/cm; (18)Density: 1.427 g/cm3; (19)Flash Point: 147.387 °C; (20)Enthalpy of Vaporization: 56.173 kJ/mol; (21)Boiling Point: 320.092 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(c(c(c1C#N)Cl)F)N
(2) InChI: InChI=1/C7H4ClFN2/c8-6-4(3-10)1-2-5(11)7(6)9/h1-2H,11H2
(3) InChIKey: XSTLYVVLZCCQOC-UHFFFAOYAM