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CAS No.: | 1260677-07-3 |
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Name: | 7-Bromo-3-chlorobenzo[d]isoxazole |
Molecular Structure: | |
Formula: | C7H3BrClNO |
Molecular Weight: | 232.46 |
Synonyms: | 7-Bromo-3-chlorobenzo[d]isoxazole |
Density: | 1.82 g/cm3 |
Boiling Point: | 313.581 °C at 760 mmHg |
Flash Point: | 143.449 °C |
PSA: | 26.03000 |
LogP: | 3.24370 |
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The 7-Bromo-3-chlorobenzo[d]isoxazole, with the CAS registry number 1260677-07-3, is also known as 1,2-Benzisoxazole, 7-bromo-3-chloro-. This chemical's molecular formula is C7H3BrClNO and molecular weight is 232.46. What's more, its systematic name is 7-Bromo-3-chloro-1,2-benzoxazole.
Physical properties of 7-Bromo-3-chlorobenzo[d]isoxazole are: (1)ACD/LogP: 3.446; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.45; (4)ACD/LogD (pH 7.4): 3.45; (5)ACD/BCF (pH 5.5): 244.86; (6)ACD/BCF (pH 7.4): 244.86; (7)ACD/KOC (pH 5.5): 1784.80; (8)ACD/KOC (pH 7.4): 1784.80; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.03 Å2; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 47.072 cm3; (15)Molar Volume: 127.703 cm3; (16)Polarizability: 18.661×10-24cm3; (17)Surface Tension: 53.6 dyne/cm; (18)Density: 1.82 g/cm3; (19)Flash Point: 143.449 °C; (20)Enthalpy of Vaporization: 53.256 kJ/mol; (21)Boiling Point: 313.581 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(c(c1)Br)onc2Cl
(2)Std. InChI: InChI=1S/C7H3BrClNO/c8-5-3-1-2-4-6(5)11-10-7(4)9/h1-3H
(3)Std. InChIKey: QDDQHYMCNDGVMZ-UHFFFAOYSA-N