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7357-56-4

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Basic Information
CAS No.: 7357-56-4
Name: METHYL 2-BROMODECANOATE
Article Data: 7
Molecular Structure:
Molecular Structure of 7357-56-4 (METHYL 2-BROMODECANOATE)
Formula: C11H21BrO2
Molecular Weight: 265.191
Synonyms: DL-2-Bromodecanoicacid methyl ester;Methyl 2-bromodecanoate;Methyl a-bromodecanoate;NSC 29654;
Density: 1.167 g/cm3
Boiling Point: 258.1 °C at 760 mmHg
Flash Point: 122.2 °C
PSA: 26.30000
LogP: 3.67350
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Specification

The Decanoic acid,2-bromo-, methyl ester, with the CAS registry number 7357-56-4, is also known as DL-2-Bromodecanoicacid methyl ester. This chemical's molecular formula is C11H21BrO2 and molecular weight is 265.19. What's more, its systematic name is methyl 2-bromodecanoate.

Physical properties of Decanoic acid,2-bromo-, methyl ester are: (1)ACD/LogP: 4.91; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 9; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.462 ; (8)Molar Refractivity: 62.47 cm3; (9)Molar Volume: 227.1 cm3; (10)Polarizability: 24.76×10-24cm3; (11)Surface Tension: 32.9 dyne/cm; (12)Density: 1.167 g/cm3; (13)Flash Point: 122.2 °C; (14)Enthalpy of Vaporization: 49.56 kJ/mol; (15)Boiling Point: 258.1 °C at 760 mmHg; (16)Vapour Pressure: 0.014 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCC(C(=O)OC)Br
(2)InChI: InChI=1S/C11H21BrO2/c1-3-4-5-6-7-8-9-10(12)11(13)14-2/h10H,3-9H2,1-2H3
(3)InChIKey: BTVBXISZWGMHEN-UHFFFAOYSA-N