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The Benzenepropanoic acid, beta-amino-4-chloro-, (betaR)-, with the CAS registry number 131690-61-4, is also known as Benzenepropanoic acid, β-amino-4-chloro-, (betaR)-. It belongs to the product categories of 3-Amino-3-phenylpropionic Acid Analogs; B-Amino. This chemical's molecular formula is C9H10ClNO2 and formula weight is 199.63. What's more, its systematic name is called (3R)-3-amino-3-(4-chlorophenyl)propanoic acid.
Physical properties of Benzenepropanoic acid, beta-amino-4-chloro-, (betaR)-: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Index of Refraction: 1.588; (7)Molar Refractivity: 50.43 cm3; (8)Molar Volume: 149.7 cm3; (9)Surface Tension: 55.6 dyne/cm; (10)Density: 1.333 g/cm3; (11)Flash Point: 162.9 °C; (12)Enthalpy of Vaporization: 62.25 kJ/mol; (13)Boiling Point: 345.8 °C at 760 mmHg; (14)Vapour Pressure: 2.29E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)[C@H](N)CC(=O)O
(2)InChI: InChI=1/C9H10ClNO2/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
(3)InChIKey: BXGDBHAMTMMNTO-MRVPVSSYBE