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156755-23-6

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Basic Information
CAS No.: 156755-23-6
Name: CHEMBRDG-BB 7041866
Article Data: 3
Molecular Structure:
Molecular Structure of 156755-23-6 (CHEMBRDG-BB 7041866)
Formula: C15H11BrO2
Molecular Weight: 303.155
Synonyms: 6-bromo-4-phenylchroman-2-one;
Density: 1.484g/cm3
Boiling Point: 373.7 °C at 760 mmHg
Flash Point: 179.8 °C
PSA: 26.30000
LogP: 3.89010
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Specification

The 6-Bromo-4-phenylchroman-2-one, with CAS registry number 156755-23-6, has the systematic name of 6-bromo-4-phenyl-3,4-dihydro-2H-chromen-2-one. Besides this, it is also called Chembrdg-BB 7041866. And the chemical formula of this chemical is C15H11BrO2.

Physical properties of 6-Bromo-4-phenylchroman-2-one: (1)ACD/LogP: 4.18; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.626; (8)Molar Refractivity: 72.29 cm3; (9)Molar Volume: 204.1 cm3; (10)Polarizability: 28.66×10-24cm3; (11)Surface Tension: 49.2 dyne/cm; (12)Density: 1.484 g/cm3; (13)Flash Point: 179.8 °C; (14)Enthalpy of Vaporization: 62.1 kJ/mol; (15)Boiling Point: 373.7 °C at 760 mmHg; (16)Vapour Pressure: 8.8E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc1OC(=O)CC(c1c2)c3ccccc3
(2)InChI: InChI=1/C15H11BrO2/c16-11-6-7-14-13(8-11)12(9-15(17)18-14)10-4-2-1-3-5-10/h1-8,12H,9H2
(3)InChIKey: KFKFQGCDFMGUCH-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C15H11BrO2/c16-11-6-7-14-13(8-11)12(9-15(17)18-14)10-4-2-1-3-5-10/h1-8,12H,9H2
(5)Std. InChIKey: KFKFQGCDFMGUCH-UHFFFAOYSA-N