Name: 6-Bromo-3,4-dihydro-4,4-dimethylquinolin-2(1h)-one
SKU: 135631-90-2

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Basic Information

Molecular Structure:
CAS No.:	135631-90-2
Name:	6-Bromo-3,4-dihydro-4,4-dimethylquinolin-2(1h)-one
Article Data:	15

Formula:	C₁₁H₁₂BrNO
Molecular Weight:	254.12
Synonyms:	2(1H)-Quinolinone, 6-bromo-3,4-dihydro-4,4-dimethyl-;
Density:	1.386 g/cm³
Boiling Point:	366.03 °C at 760 mmHg
Flash Point:	175.169 °C
PSA:	29.10000
LogP:	3.20690

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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