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| CAS No.: | 868271-13-0 |
|---|---|
| Name: | 1,2-Benzisoxazol-3-amine, 5-fluoro- |
| Molecular Structure: | |
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| Formula: | C7H5FN2O |
| Molecular Weight: | 152.13 |
| Synonyms: | 5-Fluorobenzo[d]isoxazol-3-ylamine; |
| Density: | 1.434 g/cm3 |
| Boiling Point: | 315 °C at 760 mmHg |
| Flash Point: | 144.3 °C |
| PSA: | 52.05000 |
| LogP: | 2.13030 |
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 886364-50-71-(5-Bromo-2-pyridinyl)-2,2,2-trifluoroethanone
- Total:31 Page 1 of 1 1
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Specification
The 1, 2-Benzisoxazol-3-amine, 5-fluoro-, with the CAS registry number of 868271-13-0, is also known as 5-Fluorobenzo[d]isoxazol-3-ylamine. This chemical's molecular formula is C7H5FN2O. What's more, its systematic name is called 5-Fluoro-1, 2-benzoxazol-3-amine.
Physical properties about 1, 2-Benzisoxazol-3-amine, 5-fluoro- are: (1)ACD/LogP: 0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.4; (4)ACD/LogD (pH 7.4): 0.4; (5)ACD/BCF (pH 5.5): 1.19; (6)ACD/BCF (pH 7.4): 1.19; (7)ACD/KOC (pH 5.5): 39.3; (8)ACD/KOC (pH 7.4): 39.3; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 52.05 Å2; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 38.71 cm3; (15)Molar Volume: 106 cm3; (16)Polarizability: 15.34×10-24 cm3; (17)Surface Tension: 57.6 dyne/cm; (18)Density: 1.434 g/cm3; (19)Flash Point: 144.3 °C; (20)Enthalpy of Vaporization: 55.62 kJ/mol; (21)Boiling Point: 315 °C at 760 mmHg; (22)Vapour Pressure: 0.000449 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2c(cc1F)c(no2)N
(2) InChI: InChI=1/C7H5FN2O/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H,(H2,9,10)
(3) InChIKey: MBKJAWUGNSKUIU-UHFFFAOYAA