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82144-78-3

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Basic Information
CAS No.: 82144-78-3
Name: 2-BROMOPENTADECANOIC ACID
Molecular Structure:
Molecular Structure of 82144-78-3 (2-BROMOPENTADECANOIC ACID)
Formula: C15H29BrO2
Molecular Weight: 321.298
Synonyms: 2-BROMOPENTADECANOIC ACID
Density: 1.13 g/cm3
Boiling Point: 389.2 °C at 760 mmHg
Flash Point: 189.2 °C
PSA: 37.30000
LogP: 5.53560
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    Pentadecanoicacid, 2-bromo-

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  • 2-BROMOPENTADECANOIC ACID

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    2-BROMOPENTADECANOIC ACID

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    2-BROMOPENTADECANOIC ACIDAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The Pentadecanoicacid, 2-bromo- is an organic compound with the formula C15H29BrO2. With the CAS registry number 82144-78-3, the systematic name of this chemical is 2-bromopentadecanoic acid.

Physical properties about Pentadecanoicacid, 2-bromo- are: (1)ACD/LogP: 7.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.72; (4)ACD/LogD (pH 7.4): 3.56; (5)ACD/BCF (pH 5.5): 574.84; (6)ACD/BCF (pH 7.4): 39.6; (7)ACD/KOC (pH 5.5): 637.89; (8)ACD/KOC (pH 7.4): 43.94; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.48; (14)Molar Refractivity: 80.79 cm3; (15)Molar Volume: 284.3 cm3; (16)Polarizability: 32.03×10-24cm3; (17)Surface Tension: 36.7 dyne/cm; (18)Density: 1.13 g/cm3; (19)Flash Point: 189.2 °C; (20)Enthalpy of Vaporization: 70.09 kJ/mol; (21)Boiling Point: 389.2 °C at 760 mmHg; (22)Vapour Pressure: 3.86E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)C(Br)CCCCCCCCCCCCC
(2)InChI: InChI=1/C15H29BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18/h14H,2-13H2,1H3,(H,17,18)
(3)InChIKey: MUXQOFXMCVOPPW-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C15H29BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18/h14H,2-13H2,1H3,(H,17,18)
(5)Std. InChIKey: MUXQOFXMCVOPPW-UHFFFAOYSA-N