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Cas Database |
| Name |
1(2H)-Naphthalenone, 2-bromo-3,4-dihydro-6-methoxy- |
EINECS | N/A |
| CAS No. | 20933-24-8 | Density | 1.491 g/cm3 |
| PSA | 26.30000 | LogP | 2.58760 |
| Solubility | N/A | Melting Point |
78-79 °C(Solv: ethanol (64-17-5)) |
| Formula | C11H11BrO2 | Boiling Point | 367.642 °C at 760 mmHg |
| Molecular Weight | 255.1078 | Flash Point | 176.144 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Bromo-6-methoxy-1-tetralone;2-Bromo-6-methoxy-3,4-dihydro-2H-naphthalen-1-one;2-Bromo-6-methoxy-3,4-dihydronaphthalen-1(2H)-one;2-Bromo-6-methoxy-a-tetralone; |
Article Data | 22 |
1(2H)-Naphthalenone, 2-bromo-3,4-dihydro-6-methoxy- Specification
The 1(2H)-Naphthalenone, 2-bromo-3,4-dihydro-6-methoxy-, with CAS registry number 20933-24-8, has the systematic name of 2-bromo-6-methoxy-3,4-dihydronaphthalen-1(2H)-one. Besides this, it is also called 2-bromo-6-methoxy-3,4-dihydronaphthalen. And the chemical formula of this chemical is C11H11BrO2.
Physical properties of 1(2H)-Naphthalenone, 2-bromo-3,4-dihydro-6-methoxy-: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 112; (6)ACD/BCF (pH 7.4): 112; (7)ACD/KOC (pH 5.5): 1022; (8)ACD/KOC (pH 7.4): 1022; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 57.634 cm3; (15)Molar Volume: 171.123 cm3; (16)Polarizability: 22.848×10-24cm3; (17)Surface Tension: 46.638 dyne/cm; (18)Density: 1.491 g/cm3; (19)Flash Point: 176.144 °C; (20)Enthalpy of Vaporization: 61.42 kJ/mol; (21)Boiling Point: 367.642 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrC2C(=O)c1c(cc(OC)cc1)CC2
(2)InChI: InChI=1/C11H11BrO2/c1-14-8-3-4-9-7(6-8)2-5-10(12)11(9)13/h3-4,6,10H,2,5H2,1H3
(3)InChIKey: NAXVBXDTOCUKNH-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C11H11BrO2/c1-14-8-3-4-9-7(6-8)2-5-10(12)11(9)13/h3-4,6,10H,2,5H2,1H3
(5)Std. InChIKey: NAXVBXDTOCUKNH-UHFFFAOYSA-N
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