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| CAS No.: | 200049-46-3 |
|---|---|
| Name: | 7-Bromo-2,3-dihydro-isoindol-1-one |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C8H6BrNO |
| Molecular Weight: | 212.046 |
| Synonyms: | 7-Bromo-2,3-dihydro-isoindol-1-one;1H-Isoindol-1-one, 7-broMo-2,3-dihydro-;7-broMo-2,3-dihydro-1H-isoindol-1-one |
| Density: | 1.666 g/cm3 |
| Boiling Point: | 452.172 °C at 760 mmHg |
| Flash Point: | 227.266 °C |
| PSA: | 29.10000 |
| LogP: | 2.02130 |
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Specification
The CAS register number of 7-Bromo-2,3-dihydro-isoindol-1-one is 200049-46-3. The systematic name about this chemical is 7-bromo-2,3-dihydro-1H-isoindol-1-one. The molecular formula about this chemical is C8H6BrNO and the molecular weight is 212.0433. It belongs to the Pharmaceutical intermediate.
Physical properties about 7-Bromo-2,3-dihydro-isoindol-1-one are: (1)ACD/LogP: 0.92; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 4; (5)ACD/BCF (pH 7.4): 4; (6)ACD/KOC (pH 5.5): 90; (7)ACD/KOC (pH 7.4): 90; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 29.1Å2; (11)Index of Refraction: 1.625; (12)Molar Refractivity: 44.984 cm3; (13)Molar Volume: 127.24 cm3; (14)Polarizability: 17.833x10-24cm3; (15)Surface Tension: 49.168 dyne/cm; (16)Enthalpy of Vaporization: 71.135 kJ/mol; (17)Boiling Point: 452.172 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cccc2CNC(=O)c12
(2)InChI: InChI=1/C8H6BrNO/c9-6-3-1-2-5-4-10-8(11)7(5)6/h1-3H,4H2,(H,10,11)
(3)InChIKey: XTWPGJGLJLJZHW-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H6BrNO/c9-6-3-1-2-5-4-10-8(11)7(5)6/h1-3H,4H2,(H,10,11)
(5)Std. InChIKey: XTWPGJGLJLJZHW-UHFFFAOYSA-N