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Name |
Benzenepropanoic acid, b-amino-2-fluoro-, (bR)- |
EINECS | N/A |
CAS No. | 151911-22-7 | Density | 1.289 g/cm3 |
PSA | 63.32000 | LogP | 2.00050 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H10FNO2 | Boiling Point | 302.6 °C at 760 mmHg |
Molecular Weight | 183.182 | Flash Point | 136.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzenepropanoicacid, b-amino-2-fluoro-, (R)-; |
Article Data | 15 |
The Benzenepropanoic acid, b-amino-2-fluoro-, (bR)- is an organic compound with the formula C9H10FNO2. The IUPAC name of this chemical is (3R)-3-Amino-3-(2-fluorophenyl)propanoic acid. With the CAS registry number 151911-22-7, it is also named as (R)-3-Amino-3-(2-fluoro-phenyl)-propionic acid. The product's categories are 3-Amino-3-phenylpropionic Acid Analogs; B-Amino. Besides, its molecular weight is 183.18.
Physical properties about Benzenepropanoic acid, b-amino-2-fluoro-, (bR)- are: (1)ACD/LogP: 0.96; (2)ACD/LogD (pH 5.5): -1.53; (3)ACD/LogD (pH 7.4): -1.55; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.554; (13)Molar Refractivity: 45.53 cm3; (14)Molar Volume: 142 cm3; (15)Polarizability: 18.05×10-24 cm3; (16)Surface Tension: 51.4 dyne/cm; (17)Density: 1.289 g/cm3; (18)Flash Point: 136.8 °C; (19)Enthalpy of Vaporization: 57.32 kJ/mol; (20)Boiling Point: 302.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000434 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H10FNO2/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
(2)InChIKey: RSCLTSJQAQBNCE-MRVPVSSYBC
(3)Std. InChI: InChI=1S/C9H10FNO2/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
(4)Std. InChIKey: RSCLTSJQAQBNCE-MRVPVSSYSA-N