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CAS No.: | 267225-27-4 |
---|---|
Name: | D-2-Bromophenylalanine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H10BrNO2 |
Molecular Weight: | 244.088 |
Synonyms: | (R)-2-Amino-3-(2'-bromophenyl)propanoic acid; |
Density: | 1.588g/cm3 |
Boiling Point: | 363.2 °C at 760 mmHg |
Flash Point: | 173.4 °C |
Hazard Symbols: | Xi |
PSA: | 63.32000 |
LogP: | 2.10380 |
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The D-Phenylalanine,2-bromo-, with CAS registry number 267225-27-4, belongs to the following product categories: (1)Amino Acids; (2)Phenylalanine analogs and other aromatic alpha amino acids; (3)Amino Acid Derivatives; (4)Chiral Reagent; (5)A-amino. It has the systematic name of 2-bromo-L-phenylalanine. This chemical should be stored at the temperature of -15°C.
Physical properties of D-Phenylalanine,2-bromo-: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.61; (4)ACD/LogD (pH 7.4): -0.64; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 53.18 cm3; (15)Molar Volume: 153.6 cm3; (16)Polarizability: 21.08×10-24cm3; (17)Surface Tension: 57.1 dyne/cm; (18)Enthalpy of Vaporization: 64.28 kJ/mol; (19)Vapour Pressure: 6.53E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccccc1C[C@@H](C(=O)O)N
(2)InChI: InChI=1/C9H10BrNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
(3)InChIKey: JFVLNTLXEZDFHW-QMMMGPOBBM
(4)Std. InChI: InChI=1S/C9H10BrNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
(5)Std. InChIKey: JFVLNTLXEZDFHW-QMMMGPOBSA-N