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158205-19-7

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Basic Information
CAS No.: 158205-19-7
Name: 5-Amino-6-bromo-2,3-dihydro-1H-inden-1-one
Article Data: 8
Molecular Structure:
Molecular Structure of 158205-19-7 (5-Amino-6-bromo-2,3-dihydro-1H-inden-1-one)
Formula: C9H8BrNO
Molecular Weight: 226.073
Synonyms: 5-amino-6-bromo-2,3-didydro-1H-inden-1-one
Density: 1.694 g/cm3
Boiling Point: 376.725 °C at 760 mmHg
Flash Point: 181.637 °C
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Specification

The CAS registry number of 5-Amino-6-bromo-2,3-dihydro-1H-inden-1-one is 158205-19-7. This chemical's molecular formula is C9H8BrNO and molecular weight is 226.0699. What's more, its systematic name is 5-Amino-6-bromo-2,3-dihydro-1H-inden-1-one.

Physical properties about the 5-Amino-6-bromo-2,3-dihydro-1H-inden-1-one are: (1) ACD/LogP: 1.78; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2; (4) ACD/LogD (pH 7.4): 2; (5) ACD/BCF (pH 5.5): 30; (6) ACD/BCF (pH 7.4): 30; (7) ACD/KOC (pH 5.5): 395; (8) ACD/KOC (pH 7.4): 395; (9) #H bond acceptors: 2; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 43.09 Å2; (13) Index of Refraction: 1.681; (14) Molar Refractivity: 50.484 cm3; (15) Molar Volume: 133.487 cm3; (16) Polarizability: 20.013×10-24 cm3; (17) Surface Tension: 63.419 dyne/cm; (18) Density: 1.694 g/cm3; (19)Flash Point: 181.637 °C; (20) Enthalpy of Vaporization: 62.44 kJ/mol; (21) Boiling Point: 376.725 °C at 760 mmHg; (22) Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc2c(cc1N)CCC2=O
(2) InChI: InChI=1/C9H8BrNO/c10-7-4-6-5(3-8(7)11)1-2-9(6)12/h3-4H,1-2,11H2
(3) InChIKey: CCOFLYKTUCBGSG-UHFFFAOYAJ