Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Bromo-7-methoxyindan-1-one |
EINECS | N/A |
CAS No. | 5411-61-0 | Density | 1.553 g/cm3 |
PSA | 26.30000 | LogP | 2.58660 |
Solubility | N/A | Melting Point |
134-135℃ |
Formula | C10H9BrO2 | Boiling Point | 368.8 °C at 760 mmHg |
Molecular Weight | 241.083 | Flash Point | 176.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
4-bromo-7-methoxy-2,3-dihydroinden-1-one |
Article Data | 9 |
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