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CAS No.: | 32835-74-8 |
---|---|
Name: | S-2--Bromovaleric acid |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C5H9BrO2 |
Molecular Weight: | 181.029 |
Synonyms: | L-2-Bromovaleric acid;L-a-Bromovaleric acid;(S)-2-Bromovaleric acid;Valeric acid, 2-bromo-, (S)- (8CI);Pentanoicacid, 2-bromo-, (S)-;(2S)-2-Bromopentanoic acid; |
Density: | 1.518 g/cm3 |
Boiling Point: | 232.2 °C at 760 mmHg |
Flash Point: | 94.2 °C |
PSA: | 37.30000 |
LogP: | 1.63460 |
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The Pentanoic acid,2-bromo-, (2S)-, with the CAS registry number 32835-74-8, is also known as (S)-2-Bromovaleric acid. This chemical's molecular formula is C5H9BrO2 and molecular weight is 181.03. What's more, its systematic name is (2S)-2-Bromopentanoic acid.
Physical properties of Pentanoic acid,2-bromo-, (2S)- are: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.59; (4)ACD/LogD (pH 7.4): -1.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 34.46 cm3; (15)Molar Volume: 119.2 cm3; (16)Polarizability: 13.66×10-24 cm3; (17)Surface Tension: 41.3 dyne/cm; (18)Density: 1.518 g/cm3; (19)Flash Point: 94.2 °C; (20)Enthalpy of Vaporization: 51.65 kJ/mol; (21)Boiling Point: 232.2 °C at 760 mmHg; (22)Vapour Pressure: 0.021 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Br[C@H](C(=O)O)CCC
(2)InChI: InChI=1/C5H9BrO2/c1-2-3-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8)/t4-/m0/s1
(3)InChIKey: WMFATTFQNRPXBQ-BYPYZUCNSA-N