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Basic Information
CAS No.: 116409-75-7
Name: 16,17-DICHLOROHEPTADECANOIC ACID
Molecular Structure:
Molecular Structure of 116409-75-7 (16,17-DICHLOROHEPTADECANOIC ACID)
Formula: C17H32Cl2O2
Molecular Weight: 339.34
Synonyms: 16,17-Dichloroheptadecanoicacid;
Density: 1.037 g/cm3
Melting Point: 54-55 °C
Boiling Point: 454.1 °C at 760 mmHg
Flash Point: 228.4 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 37.30000
LogP: 6.37860
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Specification

The Heptadecanoic acid, 16, 17-dichloro-, with the CAS registry number of 116409-75-7, is also known as 16, 17-Dichloroheptadecanoicacid. This chemical's molecular formula is C17H32Cl2O2 and molecular weight is 339.34. What's more, its systematic name is called 16, 17-Dichloroheptadecanoic acid. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Heptadecanoic acid, 16, 17-dichloro- are: (1)ACD/LogP: 7.10; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.3; (4)ACD/LogD (pH 7.4): 4.51; (5)ACD/BCF (pH 5.5): 23282.2; (6)ACD/BCF (pH 7.4): 373.5; (7)ACD/KOC (pH 5.5): 27620.21; (8)ACD/KOC (pH 7.4): 443.1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 92.02 cm3; (15)Molar Volume: 326.9 cm3; (16)Surface Tension: 36.6 dyne/cm; (17)Density: 1.037 g/cm3; (18)Flash Point: 228.4 °C; (19)Enthalpy of Vaporization: 78.21 kJ/mol; (20)Boiling Point: 454.1 °C at 760 mmHg; (21)Vapour Pressure: 1.65E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCC(Cl)CCCCCCCCCCCCCCC(=O)O
(2) InChI: InChI=1/C17H32Cl2O2/c18-15-16(19)13-11-9-7-5-3-1-2-4-6-8-10-12-14-17(20)21/h16H,1-15H2,(H,20,21)
(3) InChIKey: ITMRXTONPIMQLR-UHFFFAOYAJ