Ethanone, 2-bromo-1-(6-methoxy-2-naphthalenyl)- (10262-65-4)

This chemical is called 2-(Bromoacetyl)-6-methoxynaphthalene, and its IUPAC registry name is 2-bromo-1-(6-methoxynaphthalen-2-yl)ethanone. With the CAS number of  10262-65-4, its molecular formula is C₁₃H₁₁BrO₂. In addition, its formula weight is 279.12924.

Other characteristics of this chemical can be summarised as followings: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3) #H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.631; (8)Molar Refractivity: 68.53 cm³; (9)Molar Volume: 192.2 cm³; (10)Polarizability: 27.16×10-24 cm³; (11)Surface Tension: 47.6 dyne/cm; (12)Density: 1.451 g/cm³; (13)Flash Point: 188 °C; (14)Enthalpy of Vaporization: 63.63 kJ/mol; (15)Boiling Point: 387.2 °C at 760 mmHg; (16)Vapour Pressure: 3.35E-06 mmHg at 25°C.

Uses of this chemical: The 2-(Bromoacetyl)-6-methoxynaphthalene is often used as a fluorescent labeling reagent for HPLC analysis of bile acids. With 2-bromo-1-(6-methoxy-[2]naphthyl)-ethanone and 4-amino-5-(5-methyl-isoxazol-3-yl, the reagent of K₂CO₃, and the solvent of ethanol, the product of 4-[2-bromo-1-(6-methoxy-naphthalen-2-yl)-ethylideneamino]-5-(5-methyl-isoxazol-3-yl)-2,4-dihydro-[1,2,4]triazole-3-thione can be made.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCC(=O)c1ccc2c(c1)ccc(OC)c2
(2)InChI: InChI=1/C13H11BrO2/c1-16-12-5-4-9-6-11(13(15)8-14)3-2-10(9)7-12/h2-7H,8H2,1H3
(4)InChIKey: HHHKEQGAGUAOQI-UHFFFAOYAW
(5)Std. InChI: InChI=1S/C13H11BrO2/c1-16-12-5-4-9-6-11(13(15)8-14)3-2-10(9)7-12/h2-7H,8H2,1H3
(6)Std. InChIKey: HHHKEQGAGUAOQI-UHFFFAOYSA-N