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The 1H-Inden-2-ol, 5-bromo-2,3-dihydro-, with CAS registry number 862135-61-3, has the systematic name of 5-bromoindan-2-ol. Besides this, it is also called 5-Bromo-2,3-dihydro-1H-inden-2-ol. Its molecular weight is 213.073. And the chemical formula of this chemical is C9H9BrO.
Physical properties of 1H-Inden-2-ol, 5-bromo-2,3-dihydro-: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.45; (4)ACD/LogD (pH 7.4): 2.45; (5)#H bond acceptors: 1; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 20.23 Å2; (9)Index of Refraction: 1.644; (10)Molar Refractivity: 47.7 cm3; (11)Molar Volume: 131.6 cm3; (12)Polarizability: 18.91×10-24cm3; (13)Surface Tension: 50.2 dyne/cm; (14)Density: 1.617 g/cm3; (15)Flash Point: 135 °C; (16)Enthalpy of Vaporization: 56.98 kJ/mol; (17)Boiling Point: 299.6 °C at 760 mmHg; (18)Vapour Pressure: 0.000527 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2CC(O)Cc2c1
(2)InChI: InChI=1/C9H9BrO/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3,9,11H,4-5H2
(3)InChIKey: QYVONEHTDRTAHN-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C9H9BrO/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3,9,11H,4-5H2
(5)Std. InChIKey: QYVONEHTDRTAHN-UHFFFAOYSA-N