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CAS No.: | 6120-13-4 |
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Name: | Bicyclo[2.2.1]heptane,2-chloro-1,7,7-trimethyl- |
Article Data: | 50 |
Molecular Structure: | |
Formula: | C10H17Cl |
Molecular Weight: | 172.698 |
Synonyms: | Bornane,2-chloro- (6CI,7CI);Camphane, 2-chloro- (2CI);NSC 243650; |
Density: | 1.01g/cm3 |
Boiling Point: | 207.5 °C at 760 mmHg |
Flash Point: | 68 °C |
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This chemical is called Bicyclo[2.2.1]heptane, 2-chloro-1,7,7-trimethyl-, and it can also be named as 2-Chlorobornane. With the molecular formula of C10H17Cl, its molecular weight is 172.70. The CAS registry number of this chemical is 6120-13-4.
Other characteristics of the Bicyclo[2.2.1]heptane, 2-chloro-1,7,7-trimethyl- can be summarised as followings: (1)ACD/LogP: 4.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.39; (4)ACD/LogD (pH 7.4): 4.39; (5)ACD/BCF (pH 5.5): 1287.92; (6)ACD/BCF (pH 7.4): 1287.92; (7)ACD/KOC (pH 5.5): 5856.77; (8)ACD/KOC (pH 7.4): 5856.77; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.488; (13)Molar Refractivity: 49.06 cm3; (14)Molar Volume: 169.9 cm3; (15)Polarizability: 19.44×10-24cm3; (16)Surface Tension: 30.3 dyne/cm; (17)Density: 1.01 g/cm3; (18)Flash Point: 68 °C; (19)Enthalpy of Vaporization: 42.56 kJ/mol; (20)Boiling Point: 207.5 °C at 760 mmHg; (21)Vapour Pressure: 0.323 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: ClC2CC1CCC2(C)C1(C)C
2.InChI: InChI=1/C10H17Cl/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8H,4-6H2,1-3H3
3.InChIKey: XXZAOMJCZBZKPV-UHFFFAOYAE