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| CAS No.: | 702-77-2 |
|---|---|
| Name: | 1-BROMO-3-METHYLADAMANTANE |
| Molecular Structure: | |
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| Formula: | C11H17Br |
| Molecular Weight: | 229.16 |
| Synonyms: | NSC 255329;Adamantane,1-bromo-3-methyl- (7CI,8CI);1-Bromo-3-methyladamantane;1-Methyl-3-bromoadamantane; |
| Density: | 1.403 g/cm3 |
| Boiling Point: | 243.6 °C at 760 mmHg |
| Flash Point: | 103.7 °C |
| PSA: | 0.00000 |
| LogP: | 3.74020 |
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- Total:35 Page 1 of 1 1
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Specification
This chemical is called Tricyclo[3.3.1.13,7]decane,1-bromo-3-methyl-, and its systematic name is 1-bromo-3-methyltricyclo[3.3.1.13,7]decane. With the molecular formula of C11H17Br, its molecular weight is 229.16. The CAS registry number of this chemical is 702-77-2.
Other characteristics of the Tricyclo[3.3.1.13,7]decane,1-bromo-3-methyl- can be summarised as followings: (1)ACD/LogP: 4.51; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Index of Refraction: 1.582; (7)Molar Refractivity: 54.51 cm3; (8)Molar Volume: 163.3 cm3; (9)Polarizability: 21.61×10-24cm3; (10)Surface Tension: 45.1 dyne/cm; (11)Density: 1.403 g/cm3; (12)Flash Point: 103.7 °C; (13)Enthalpy of Vaporization: 46.11 kJ/mol; (14)Boiling Point: 243.6 °C at 760 mmHg; (15)Vapour Pressure: 0.0497 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: BrC12CC3CC(C1)(CC(C2)C3)C
2.InChI: InChI=1/C11H17Br/c1-10-3-8-2-9(4-10)6-11(12,5-8)7-10/h8-9H,2-7H2,1H3
3.InChIKey: MXAYGTASSPYUJB-UHFFFAOYAG