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| CAS No.: | 53086-52-5 |
|---|---|
| Name: | 2-(3-Bromophenyl)propanoic acid |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C9H9BrO2 |
| Molecular Weight: | 229.073 |
| Synonyms: | 2-(3-Bromophenyl)propanoicacid; |
| Density: | 1.523 g/cm3 |
| Boiling Point: | 319.6 °C at 760 mmHg |
| Flash Point: | 147.1 °C |
| PSA: | 37.30000 |
| LogP: | 2.63720 |
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Specification
The 2-(3-Bromophenyl)propanoic acid ,its cas register number is 53086-52-5.It also can be called as Benzeneacetic acid,3-bromo-a-methyl- and the Systematic name about this chemicals is 2-(3-Bromophenyl)propanoic acid .
Following are the chemical properties about 2-(3-Bromophenyl)propanoic acid :(1)#H bond acceptors: 2 ; (2)#H bond donors: 1 ; (3)#Freely Rotating Bonds: 2 ; (4)Polar Surface Area: 37.3Å2 ; (5)Index of Refraction: 1.575 ; (6)Molar Refractivity: 49.69 cm3 ; (7)Molar Volume: 150.3 cm3 ; (8)Polarizability: 19.69x10-24cm3 ; (9)Surface Tension: 47.4 dyne/cm ; (10)Enthalpy of Vaporization: 59.25 kJ/mol ; (11)Vapour Pressure: 0.000139 mmHg at 25°C
This chemical can be described computed from structure:
(1)SMILES: CC(c1cc(Br)ccc1)C(O)=O
(2)InChI: InChI=1/C9H9BrO2/c1-6(9(11)12)7-3-2-4-8(10)5-7/h2-6H,1H3,(H,11,12)
(3)InChIKey: QLHMQZFTSIHQIT-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C9H9BrO2/c1-6(9(11)12)7-3-2-4-8(10)5-7/h2-6H,1H3,(H,11,12)
(5)Std. InChIKey: QLHMQZFTSIHQIT-UHFFFAOYSA-N