Ethanone,1-(5-bromo-3-hydroxy-1H-indol-1-yl)- (114165-30-9)

The CAS register number of N-Acetyl-5-bromo-3-hydroxyindole is 114165-30-9. It also can be called as 1-Acetyl-5-bromo-3-hydroxy-1H-indole and the IUPAC name about this chemical is 1-(5-bromo-3-hydroxyindol-1-yl)ethanone. The molecular formula about this chemical is C₁₀H₈BrNO₂ and molecular weight is 254.08. It belongs to the Indoline & Oxindole.

Physical properties about N-Acetyl-5-bromo-3-hydroxyindole are: (1)ACD/LogP: 2.22; (2)ACD/LogD (pH 5.5): 2.22; (3)ACD/LogD (pH 7.4): 2.2; (4)ACD/BCF (pH 5.5): 28.52; (5)ACD/BCF (pH 7.4): 27.56; (6)ACD/KOC (pH 5.5): 383.01; (7)ACD/KOC (pH 7.4): 370.1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 31.23Ų; (12)Index of Refraction: 1.658; (13)Molar Refractivity: 56.56 cm³; (14)Molar Volume: 153.5 cm³; (15)Polarizability: 22.42x10^-24cm³; (16)Surface Tension: 51.9 dyne/cm; (17)Enthalpy of Vaporization: 66.1 kJ/mol; (18)Boiling Point: 387.1 °C at 760 mmHg; (19)Vapour Pressure: 1.52E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2c(cc1)n(cc2O)C(=O)C
(2)InChI: InChI=1/C10H8BrNO2/c1-6(13)12-5-10(14)8-4-7(11)2-3-9(8)12/h2-5,14H,1H3
(3)InChIKey: WOLVOYIZHIXSSE-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H8BrNO2/c1-6(13)12-5-10(14)8-4-7(11)2-3-9(8)12/h2-5,14H,1H3
(5)Std. InChIKey: WOLVOYIZHIXSSE-UHFFFAOYSA-N