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CAS No.: | 1245644-54-5 |
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Name: | 6-Bromo-2-(2-fluoroethyl)isoindolin-1-one |
Molecular Structure: | |
Formula: | C10H9BrFNO |
Molecular Weight: | 258.087 |
Synonyms: | 1H-Isoindol-1-one, 6-bromo-2-(2-fluoroethyl)-2,3-dihydro-; |
Density: | 1.561 g/cm3 |
Boiling Point: | 375.397 °C at 760 mmHg |
Flash Point: | 180.834 °C |
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The CAS registry number of 6-Bromo-2-(2-fluoroethyl)isoindolin-1-one is 1245644-54-5. This chemical is also known as 1H-Isoindol-1-one, 6-bromo-2-(2-fluoroethyl)-2,3-dihydro-. In addition, its molecular formula is C10H9BrFNO and molecular weight is 258.087. Its systematic name is called 6-bromo-2-(2-fluoroethyl)isoindolin-1-one.
Physical properties about this chemical are: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.341; (4)ACD/LogD (pH 7.4): 2.341; (5)ACD/BCF (pH 5.5): 35.439; (6)ACD/BCF (pH 7.4): 35.439; (7)ACD/KOC (pH 5.5): 447.437; (8)ACD/KOC (pH 7.4): 447.437; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.576; (13)Molar Refractivity: 54.693 cm3; (14)Molar Volume: 165.289 cm3; (15)Surface Tension: 43.42 dyne/cm; (16)Density: 1.561 g/cm3; (17)Flash Point: 180.834 °C; (18)Enthalpy of Vaporization: 62.291 kJ/mol; (19)Boiling Point: 375.397 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Br)C(=O)N(C2)CCF
(2)InChI: InChI=1/C10H9BrFNO/c11-8-2-1-7-6-13(4-3-12)10(14)9(7)5-8/h1-2,5H,3-4,6H2
(3)InChIKey: UYIXTZXNJJEFBT-UHFFFAOYAF