(S)-N-FMOC-4-Chlorophenylalanine

The IUPAC name of Fmoc-L-4-Chlorophenylalanine is (2S)-3-(4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid. With the CAS registry number 175453-08-4, it is also named as N-(9-Fluorenylmethoxycarbonyl)-4-chlorophenyl-L-alanine. The product's categories are Amino Acids; Phenylalanine Analogs and other Aromatic Alpha Amino Acids; Phenylalanine [Phe, F]; Unusual Amino Acids; Fmoc-Amino Acid Series; A-Amino. Besides, it is off-white powder, which should be stored in closed, cool and dry place at 2-8 °C. In addition, when you are using this chemical, please avoid contact with skin and eyes.

The other characteristics of Fmoc-L-4-Chlorophenylalanine can be summarized as: (1)ACD/LogP: 6.00; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.81; (4)ACD/LogD (pH 7.4): 2.41; (5)ACD/BCF (pH 5.5): 137.98; (6)ACD/BCF (pH 7.4): 5.51; (7)ACD/KOC (pH 5.5): 282.26; (8)ACD/KOC (pH 7.4): 11.26; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.637; (13)Molar Refractivity: 113.29 cm³; (14)Molar Volume: 315.3 cm³; (15)Surface Tension: 57.9 dyne/cm; (16)Density: 1.337 g/cm³; (17)Flash Point: 341.4 °C; (18)Melting point: 138 °C; (19)Enthalpy of Vaporization: 99.44 kJ/mol; (20)Boiling Point: 640.9 °C at 760 mmHg; (21)Vapour Pressure: 2.64E-17 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1ccc(cc1)C[C@H](C(=O)O)NC(=O)OCC4c2ccccc2c3c4cccc3
(2)InChI: InChI=1/C24H20ClNO4/c25-16-11-9-15(10-12-16)13-22(23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m1/s1
(3)InChIKey: CQPNKLNINBUUOM-JOCHJYFZBP
(4)Std. InChI: InChI=1S/C24H20ClNO4/c25-16-11-9-15(10-12-16)13-22(23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m1/s1
(5)Std. InChIKey: CQPNKLNINBUUOM-JOCHJYFZSA-N