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882855-71-2

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Basic Information
CAS No.: 882855-71-2
Name: methyl 4,4-difluorocyclohexanecarboxylate
Article Data: 2
Molecular Structure:
Molecular Structure of 882855-71-2 (methyl 4,4-difluorocyclohexanecarboxylate)
Formula: C8H12F2O2
Molecular Weight: 327.328
Synonyms: cis-Methyl3-(benzyloxycarbonylamino)-5,5-difluorocyclohexanecarboxylate;Methyl 4,4-difluorocyclohexanecarboxylate;
Density: 1.13 g/cm3
Boiling Point: 181.8 °C at 760 mmHg
Flash Point: 62.4 °C
PSA: 26.30000
LogP: 1.98490
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Specification

The Methyl 4,4-difluorocyclohexanecarboxylate with the CAS number 882855-71-2 is also called Cyclohexanecarboxylicacid, 3,3-difluoro-5-[[(phenylmethoxy)carbonyl]amino]-, methyl ester,(1R,5S)-rel-. Its molecular formula is C8H12F2O2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 5.95; (6)ACD/BCF (pH 7.4): 5.95; (7)ACD/KOC (pH 5.5): 124.68; (8)ACD/KOC (pH 7.4): 124.68; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.411; (14)Molar Refractivity: 39.12 cm3; (15)Molar Volume: 157.2 cm3; (16)Polarizability: 15.5 ×10-24cm3; (17)Surface Tension: 27.1 dyne/cm; (18)Enthalpy of Vaporization: 41.81 kJ/mol; (19)Vapour Pressure: 0.836 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC1(F)CCC(CC1)C(=O)OC
(2)InChI: InChI=1/C8H12F2O2/c1-12-7(11)6-2-4-8(9,10)5-3-6/h6H,2-5H2,1H3
(3)InChIKey: XHYGYNWRARNCHL-UHFFFAOYAV