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Name |
(S)-2-Bromo-3,3-dimethylbutanoic acid |
EINECS | N/A |
CAS No. | 32653-37-5 | Density | 1.436 g/cm3 |
PSA | 37.30000 | LogP | 1.88060 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H11BrO2 | Boiling Point | 232.7 °C at 760 mmHg |
Molecular Weight | 195.056 | Flash Point | 94.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Butyricacid, 2-bromo-3,3-dimethyl-, (S)- (8CI); |
Article Data | 2 |
The (S)-2-Bromo-3,3-dimethylbutanoic acid, with the CAS registry number 32653-37-5, is also known as (S)-2-Bromo-3,3-dimethylbutyric acid. This chemical's molecular formula is C6H11BrO2 and formula weight is 195.05. What's more, its systematic name is called (2S)-2-Bromo-3,3-dimethyl-butanoic acid.
Physical properties about this chemical are: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 37.3 Å2; (7)Index of Refraction: 1.487; (8)Molar Refractivity: 39.06 cm3; (9)Molar Volume: 135.8 cm3; (10)Surface Tension: 38 dyne/cm; (11)Density: 1.436 g/cm3; (12)Flash Point: 94.6 °C; (13)Enthalpy of Vaporization: 51.71 kJ/mol; (14)Boiling Point: 232.7 °C at 760 mmHg; (15)Vapour Pressure: 0.0203 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)C(C(=O)O)Br
(2)InChI: InChI=1/C6H11BrO2/c1-6(2,3)4(7)5(8)9/h4H,1-3H3,(H,8,9)/t4-/m1/s1
(3)InChIKey: MJLVLHNXEOQASX-SCSAIBSYBT