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3674-07-5

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Basic Information
CAS No.: 3674-07-5
Name: 2-bromoacetic acid lauryl ester
Article Data: 26
Molecular Structure:
Molecular Structure of 3674-07-5 (2-bromoacetic acid lauryl ester)
Formula: C14H27BrO2
Molecular Weight: 307.271
Synonyms: Aceticacid, bromo-, dodecyl ester (6CI,7CI,9CI);Dodecyl bromoacetate;Laurylbromoacetate;NSC 5978;n-Dodecyl monobromoacetate;Bromoacetic acid, dodecyl ester;Dodecyl 2-bromoacetate;AC1Q27IL;AC1L5A82;NSC5978;AR-1I6938;
Density: 1.112 g/cm3
Boiling Point: 309.3 °C at 760 mmHg
Flash Point: 156.7 °C
PSA: 26.30000
LogP: 4.84540
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Specification

The Acetic acid, 2-bromo-,dodecyl ester with CAS registry number of 3674-07-5 is also known as Bromoacetic acid, dodecyl ester. The IUPAC name is Dodecyl 2-bromoacetate. In addition, the formula is C14H27BrO2 and the molecular weight is 307.27.

Physical properties about Acetic acid, 2-bromo-,dodecyl ester are: (1)ACD/LogP: 6.68; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 13; (6)Polar Surface Area: 26.3Å2; (7)Index of Refraction: 1.465; (8)Molar Refractivity: 76.41 cm3; (9)Molar Volume: 276.2 cm3; (10)Polarizability: 30.29×10-24cm3; (11)Surface Tension: 33.7 dyne/cm; (12)Density: 1.112 g/cm3; (13)Flash Point: 156.7 °C; (14)Enthalpy of Vaporization: 55 kJ/mol; (15)Boiling Point: 309.3 °C at 760 mmHg; (16)Vapour Pressure: 0.000646 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: BrCC(=O)OCCCCCCCCCCCC
2. InChI: InChI=1/C14H27BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15/h2-13H2,1H3
3. InChIKey: QIPFGFYXERNTNP-UHFFFAOYAC
4. Std. InChI: InChI=1S/C14H27BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15/h2-13H2,1H3
5. Std. InChIKey: QIPFGFYXERNTNP-UHFFFAOYSA-N