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16536-57-5

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Basic Information
CAS No.: 16536-57-5
Name: Bromocyclohexanol, Cis-2-
Article Data: 90
Molecular Structure:
Molecular Structure of 16536-57-5 (Bromocyclohexanol, Cis-2-)
Formula: C6H11BrO
Molecular Weight: 179.057
Synonyms: (1S,2R)-2-Bromocyclohexanol;Bromocyclohexanol, cis-2-;
Density: 1.519 g/cm3;
Boiling Point: 225.5 °C at 760 mmHg
Flash Point: 90.2 °C
PSA: 20.23000
LogP: 1.68480
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Specification

The IUPAC name of this product is (1S,2R)-2-Bromocyclohexan-1-ol, and its CAS registry number is 16536-57-5. It is also named as Bromocyclohexanol, cis-2-.This chemical's molecular formula is C6H11BrO and molecular weight is 179.0549.

Physical properties about (1S,2R)-2-Bromocyclohexan-1-ol are: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 7.99; (6)ACD/BCF (pH 7.4): 7.99; (7)ACD/KOC (pH 5.5): 154.1; (8)ACD/KOC (pH 7.4): 154.1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 37.04 cm3; (15)Molar Volume: 117.8 cm3; (16)Polarizability: 14.68×10-24 cm3; (17)Surface Tension: 45.8 dyne/cm; (18)Density: 1.519 g/cm3; (19)Flash Point: 90.2 °C; (20)Enthalpy of Vaporization: 53.72 kJ/mol; (21)Boiling Point: 225.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0171 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Br[C@@H]1CCCC[C@@H]1O
(2) InChI: InChI=1/C6H11BrO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4H2/t5-,6+/m1/s1
(3) InChIKey: AAMCLCZHZXKWRV-RITPCOANBZ