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| CAS No.: | 5411-61-0 |
|---|---|
| Name: | 4-Bromo-7-methoxy-indan-1-one |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C10H9BrO2 |
| Molecular Weight: | 241.083 |
| Synonyms: | 4-bromo-7-methoxy-2,3-dihydroinden-1-one |
| Density: | 1.553 g/cm3 |
| Melting Point: | 134-135℃ |
| Boiling Point: | 368.8 °C at 760 mmHg |
| Flash Point: | 176.8 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 26.30000 |
| LogP: | 2.58660 |
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- Total:33 Page 1 of 1 1
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Specification
The 4-Bromo-7-methoxy-2,3-dihydroinden-1-one has CAS registry number 5411-61-0. Its molecular formula is C10H9BrO2 and molecular weight is 241.083. What's more, its systematic name is 4-Bromo-7-methoxy-2,3-dihydro-1H-inden-1-one.
Physical properties about the 4-Bromo-7-methoxy-2,3-dihydroinden-1-one are: (1)ACD/LogP: 3.49; (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: 1.597; (8)Molar Refractivity: 52.92 cm3; (9)Molar Volume: 155.2 cm3; (10)Surface Tension: 47.4 dyne/cm; (11)Density: 1.553 g/cm3; (12)Flash Point: 176.8 °C; (13)Enthalpy of Vaporization: 61.55 kJ/mol; (14)Boiling Point: 368.8 °C at 760 mmHg; (15)Vapour Pressure: 1.24E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1c2c(c(OC)cc1)C(=O)CC2
(2) InChI: InChI=1/C10H9BrO2/c1-13-9-5-3-7(11)6-2-4-8(12)10(6)9/h3,5H,2,4H2,1H3
(3) InChIKey: OJDMKCLDADYDRL-UHFFFAOYAB