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Basic Information
CAS No.: 4443-48-5
Name: BornylBromide
Article Data: 2
Molecular Structure:
Molecular Structure of 4443-48-5 (BornylBromide)
Formula: C10H17Br
Molecular Weight: 217.149
Synonyms: Bornane,2-bromo- (6CI,8CI);
Density: 1.25 g/cm3
Boiling Point: 208.5 °C at 760 mmHg
Flash Point: 91.4 °C
PSA: 0.00000
LogP: 3.59610
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Specification

The Bicyclo[2.2.1]heptane,2-bromo-1,7,7-trimethyl-, with the CAS registry number 4443-48-5, is also known as 2-Bromobornane. This chemical's molecular formula is C10H17Br and molecular weight is 217.146. What's more, its IUPAC name is 3-Bromo-4,7,7-trimethylbicyclo[2.2.1]heptane.

Physical properties about Bicyclo[2.2.1]heptane,2-bromo-1,7,7-trimethyl- are: (1)ACD/LogP: 4.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.57; (4)ACD/LogD (pH 7.4): 4.57; (5)ACD/BCF (pH 5.5): 1761.36; (6)ACD/BCF (pH 7.4): 1761.36; (7)ACD/KOC (pH 5.5): 7327.83; (8)ACD/KOC (pH 7.4): 7327.83; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 52.05 cm3; (15)Molar Volume: 172.7 cm3; (16)Polarizability: 20.63×10-24 cm3; (17)Surface Tension: 32.6 dyne/cm; (18)Density: 1.257 g/cm3; (19)Flash Point: 91.4 °C; (20)Enthalpy of Vaporization: 42.67 kJ/mol; (21)Boiling Point: 208.5 °C at 760 mmHg; (22)Vapour Pressure: 0.307 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrC2CC1CCC2(C)C1(C)C
(2) InChI: InChI=1/C10H17Br/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8H,4-6H2,1-3H3
(3) InChIKey: OTOQMOVZIUGCQE-UHFFFAOYAE