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2623-84-9

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Basic Information
CAS No.: 2623-84-9
Name: 2-BROMOUNDECANOIC ACID
Article Data: 4
Molecular Structure:
Molecular Structure of 2623-84-9 (2-BROMOUNDECANOIC ACID)
Formula: C11H21BrO2
Molecular Weight: 265.191
Synonyms: Hendecanoicacid, 2-bromo- (4CI);2-Bromoundecanoic acid;
EINECS: 220-081-8
Density: 1.214 g/cm3
Melting Point: 10°C
Boiling Point: 329.4 °C at 760 mmHg
Flash Point: 153 °C
PSA: 37.30000
LogP: 3.97520
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    Synonyms: 2-BROMOUNDECANOIC ACID CAS: 2623-84-9 MF: C11H21BrO2 MW: 265.19 EINECS: 220-081-8

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Specification

The Undecanoic acid,2-bromo-, with the CAS registry number 2623-84-9, is also known as Hendecanoicacid, 2-bromo- (4CI). Its EINECS number is 220-081-8. This chemical's molecular formula is C11H21BrO2 and molecular weight is 265.19. What's more, its systematic name is 2-bromoundecanoic acid. 

Physical properties of Undecanoic acid,2-bromo- are: (1)ACD/LogP: 5.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 14.16; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 45.23; (8)ACD/KOC (pH 7.4): 3.08; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.482; (14)Molar Refractivity: 62.26 cm3; (15)Molar Volume: 218.2 cm3; (16)Surface Tension: 37.7 dyne/cm; (17)Density: 1.214 g/cm3; (18)Flash Point: 153 °C; (19)Enthalpy of Vaporization: 62.86 kJ/mol; (20)Boiling Point: 329.4 °C at 760 mmHg; (21)Vapour Pressure: 3.5E-05 mmHg at 25°C.

Uses of Undecanoic acid,2-bromo-: it can be used to produce 2-(2-Hydroxyethylamino)undecanoic acid by heating. It will need reagent 5% KOH and solvent ethanol. The yield is about 54%.

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