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CAS No.: | 204377-88-8 |
---|---|
Name: | 8-Bromo-4-chromanone |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H7BrO2 |
Molecular Weight: | 227.057 |
Synonyms: | 8-Bromo-4-chromanone; |
EINECS: | 1312995-182-4 |
Density: | 1.621 g/cm3 |
Boiling Point: | 339.4 °C at 760 mmHg |
Flash Point: | 159.1 °C |
PSA: | 26.30000 |
LogP: | 2.41430 |
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The 8-Bromo-4-chromanone, with the CAS registry number 204377-88-8, is also known as 8-Bromo-4-chromanone. This chemical's molecular formula is C9H7BrO2 and molecular weight is 227.05468. What's more, its systematic name is called 8-Bromo-2,3-dihydro-4H-chromen-4-one.
Physical properties about 8-Bromo-4-chromanone are: (1) ACD/LogP: 2.70; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.7; (4) ACD/LogD (pH 7.4): 2.7; (5) ACD/BCF (pH 5.5): 66.73; (6) ACD/BCF (pH 7.4): 66.73; (7) ACD/KOC (pH 5.5): 703.83; (8) ACD/KOC (pH 7.4): 703.83; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 26.3 Å2; (13) Index of Refraction: 1.599; (14) Molar Refractivity: 47.85 cm3; (15) Molar Volume: 139.9 cm3; (16) Surface Tension: 48.3 dyne/cm; (17) Density: 1.621 g/cm3; (18)Flash Point: 159.1 °C; (19) Enthalpy of Vaporization: 58.28 kJ/mol; (20) Boiling Point: 339.4 °C at 760 mmHg; (21) Vapour Pressure: 9.21E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc2cccc1c2OCCC1=O
(2) InChI: InChI=1/C9H7BrO2/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3H,4-5H2
(3) InChIKey: RDFCRUZREBSOGO-UHFFFAOYAY