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CAS No.: | 316181-82-5 |
---|---|
Name: | 3-Acetyl-6-bromoindole |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C10H8BrNO |
Molecular Weight: | 238.084 |
Synonyms: | 3-Acetyl-6-bromoindole;1-(6-Bromo-1H-indol-3-yl)ethanone; |
Density: | 1.592 g/cm3 |
Boiling Point: | 388.995 °C at 760 mmHg |
Flash Point: | 189.058 °C |
PSA: | 32.86000 |
LogP: | 3.13300 |
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The CAS register number of Ethanone,1-(6-bromo-1H-indol-3-yl)- is 316181-82-5. It also can be called as 3-Acetyl-6-bromoindole and the systematic name about this chemical is 1-(6-bromo-1H-indol-3-yl)ethanone. The molecular formula about this chemical is C10H8BrNO and the molecular weight is 238.08062. It belongs to the Indole.
Physical properties about Ethanone,1-(6-bromo-1H-indol-3-yl)- are: (1)ACD/LogP: 2.89; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 83; (5)ACD/BCF (pH 7.4): 83; (6)ACD/KOC (pH 5.5): 826; (7)ACD/KOC (pH 7.4): 826; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 32.86Å2; (12)Index of Refraction: 1.676; (13)Molar Refractivity: 56.247 cm3; (14)Molar Volume: 149.587 cm3; (15)Polarizability: 22.298x10-24cm3; (16)Surface Tension: 54.475 dyne/cm; (17)Flash Point: 189.058 °C; (18)Enthalpy of Vaporization: 63.827 kJ/mol; (19)Boiling Point: 388.995 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)c2cnc1cc(Br)ccc12
(2)InChI: InChI=1/C10H8BrNO/c1-6(13)9-5-12-10-4-7(11)2-3-8(9)10/h2-5,12H,1H3
(3)InChIKey: JKNOMMZAFCVSGO-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H8BrNO/c1-6(13)9-5-12-10-4-7(11)2-3-8(9)10/h2-5,12H,1H3
(5)Std. InChIKey: JKNOMMZAFCVSGO-UHFFFAOYSA-N