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Cas Database |
| Name |
6-Bromo-3,4-dihydro-4,4-dimethylquinolin-2(1H)-one |
EINECS | N/A |
| CAS No. | 135631-90-2 | Density | 1.386 g/cm3 |
| PSA | 29.10000 | LogP | 3.20690 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H12BrNO | Boiling Point | 366.03 °C at 760 mmHg |
| Molecular Weight | 254.12 | Flash Point | 175.169 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2(1H)-Quinolinone, 6-bromo-3,4-dihydro-4,4-dimethyl-; |
Article Data | 15 |
6-Bromo-3,4-dihydro-4,4-dimethylquinolin-2(1H)-one Specification
The 6-Bromo-3,4-dihydro-4,4-dimethylquinolin-2(1H)-one, with CAS registry number 135631-90-2, belongs to the following product category: Chiral Chemicals. Its systematic name and its IUPAC name are the same, which is 6-bromo-4,4-dimethyl-3,4-dihydroquinolin-2(1H)-one. And the chemical formula of this chemical is C11H12BrNO.
Physical properties of 6-Bromo-3,4-dihydro-4,4-dimethylquinolin-2(1H)-one: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 310; (6)ACD/BCF (pH 7.4): 310; (7)ACD/KOC (pH 5.5): 2112; (8)ACD/KOC (pH 7.4): 2112; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.1 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 58.917 cm3; (15)Molar Volume: 183.392 cm3; (16)Polarizability: 23.357×10-24cm3; (17)Surface Tension: 37.367 dyne/cm; (18)Enthalpy of Vaporization: 61.24 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2c(c1)C(CC(=O)N2)(C)C
(2)InChI: InChI=1/C11H12BrNO/c1-11(2)6-10(14)13-9-4-3-7(12)5-8(9)11/h3-5H,6H2,1-2H3,(H,13,14)
(3)InChIKey: FTRFIBKHXWYJAW-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C11H12BrNO/c1-11(2)6-10(14)13-9-4-3-7(12)5-8(9)11/h3-5H,6H2,1-2H3,(H,13,14)
(5)Std. InChIKey: FTRFIBKHXWYJAW-UHFFFAOYSA-N
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