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| CAS No.: | 718596-54-4 |
|---|---|
| Name: | D-2,5-Dichlorophenylalanine |
| Molecular Structure: | |
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| Formula: | C9H9Cl2NO2 |
| Molecular Weight: | 234.07926 |
| Synonyms: | (2R)-2-amino-3-(2,5-dichlorophenyl)propanoic acid |
| Density: | 1.45 g/cm3 |
| Boiling Point: | 370.6 °C at 760 mmHg |
| Flash Point: | 177.9 °C |
| PSA: | 63.32000 |
| LogP: | 2.64810 |
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Specification
The D-2,5-Dichlorophenylalanine is an organic compound with the formula C9H9Cl2NO2. The systematic name of this chemical is 3,4-dichloro-L-phenylalanine. With the CAS registry number 718596-54-4, it is also named as L-Phenylalanine, 3,4-dichloro-.
Physical properties about D-2,5-Dichlorophenylalanine are: (1)ACD/LogP: 2.18 ; (2)ACD/LogD (pH 5.5): -0.32; (3)ACD/LogD (pH 7.4): -0.33; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.16; (7)ACD/KOC (pH 7.4): 1.12; (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: 1.601; (13)Molar Refractivity: 55.28 cm3; (14)Molar Volume: 161.3 cm3; (15)Polarizability: 21.91×10-24cm3; (16)Surface Tension: 57.1 dyne/cm; (17)Density: 1.45 g/cm3; (18)Flash Point: 177.9 °C; (19)Enthalpy of Vaporization: 65.15 kJ/mol; (20)Boiling Point: 370.6 °C at 760 mmHg; (21)Vapour Pressure: 3.78E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1Cl)C[C@@H](C(=O)O)N
(2)InChI: InChI=1/C9H9Cl2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1
(3)InChIKey: NRCSJHVDTAAISV-QMMMGPOBBU
(4)Std. InChI: InChI=1S/C9H9Cl2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1
(5)Std. InChIKey: NRCSJHVDTAAISV-QMMMGPOBSA-N