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6299-68-9

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Basic Information
CAS No.: 6299-68-9
Name: 4-cyclohexylphenyl chloroacetate
Molecular Structure:
Molecular Structure of 6299-68-9 (4-cyclohexylphenyl chloroacetate)
Formula: C14H17ClO2
Molecular Weight: 252.74
Synonyms: NSC 44878;NSC 8387;4-Cyclohexylphenyl chloroacetate;AC1L5BSM;AC1Q3TQM;AR-1G2054;CID222458;(4-Cyclohexylphenyl) 2-chloroacetate;
Density: 1.15 g/cm3
Boiling Point: 352 °C at 760 mmHg
Flash Point: 175.8 °C
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Specification

The Aceticacid, 2-chloro-, 4-cyclohexylphenyl ester with CAS registry number of 6299-68-9 is also known as 4-Cyclohexylphenyl chloroacetate. The IUPAC name is (4-Cyclohexylphenyl) 2-chloroacetate. In addition, the formula is C14H17ClO2 and the molecular weight is 252.74.

Physical properties about Aceticacid, 2-chloro-, 4-cyclohexylphenyl ester are: (1)ACD/LogP: 4.31; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 26.3Å2; (7)Index of Refraction: 1.534; (8)Molar Refractivity: 68.3 cm3; (9)Molar Volume: 219.6 cm3; (10)Polarizability: 27.07×10-24cm3; (11)Surface Tension: 40.3 dyne/cm; (12)Density: 1.15 g/cm3; (13)Flash Point: 175.8 °C; (14)Enthalpy of Vaporization: 59.68 kJ/mol; (15)Boiling Point: 352 °C at 760 mmHg; (16)Vapour Pressure: 3.95E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: ClCC(=O)Oc1ccc(cc1)C2CCCCC2
2. InChI: InChI=1/C14H17ClO2/c15-10-14(16)17-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2
3. InChIKey: PUTRXHLLQUSSBS-UHFFFAOYAJ
4. Std. InChI: InChI=1S/C14H17ClO2/c15-10-14(16)17-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2
5. Std. InChIKey: PUTRXHLLQUSSBS-UHFFFAOYSA-N