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CAS No.: | 106698-07-1 |
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Name: | 1-Acetyl-5-bromoindolin-3-one |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C10H8BrNO2 |
Molecular Weight: | 254.083 |
Synonyms: | 3H-indol-3-one, 1-acetyl-5-bromo-1,2-dihydro-;1-Acetyl-5-bromo-1,2-dihydro-3H-indol-3-one; |
Density: | 1.655 g/cm3 |
Boiling Point: | 487.7 °C at 760 mmHg |
Flash Point: | 248.7 °C |
PSA: | 37.38000 |
LogP: | 2.06330 |
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The CAS register number of 1-Acetyl-5-bromoindolin-3-one is 106698-07-1. It also can be called as 3H-indol-3-one, 1-acetyl-5-bromo-1,2-dihydro- and the systematic name about this chemical is 1-acetyl-5-bromo-1,2-dihydro-3H-indol-3-one. The molecular formula about this chemical is C10H8BrNO2 and the molecular weight is 254.082.
Physical properties about 1-Acetyl-5-bromoindolin-3-one are: (1)ACD/LogP: 1.76; (2)#H bond acceptors: 3; (3)Polar Surface Area: 37.38 Å2; (4)Index of Refraction: 1.626; (5)Molar Refractivity: 54.4 cm3; (6)Molar Volume: 153.5 cm3; (7)Polarizability: 21.56x10-24cm3; (8)Surface Tension: 56.1 dyne/cm; (9)Density: 1.655 g/cm3; (10)Flash Point: 248.7 °C; (11)Enthalpy of Vaporization: 75.36 kJ/mol; (12)Boiling Point: 487.7 °C at 760 mmHg; (13)Vapour Pressure: 1.16E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2c(cc1)N(C(=O)C)CC2=O
(2)InChI: InChI=1/C10H8BrNO2/c1-6(13)12-5-10(14)8-4-7(11)2-3-9(8)12/h2-4H,5H2,1H3
(3)InChIKey: KXJGSNRAQWDDJT-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H8BrNO2/c1-6(13)12-5-10(14)8-4-7(11)2-3-9(8)12/h2-4H,5H2,1H3
(5)Std. InChIKey: KXJGSNRAQWDDJT-UHFFFAOYSA-N