Molecular Structure of Benzeneacetic acid, a-amino-2-chloro-, (aS)- (CAS NO.141315-50-6):
IUPAC Name: (2S)-2-azaniumyl-2-(2-chlorophenyl)acetate
Empirical Formula: C8H8ClNO2
Molecular Weight: 185.6076
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 3
Polar Surface Area: 29.54 Å2
Index of Refraction: 1.629
Molar Refractivity: 46.95 cm3
Molar Volume: 131.9 cm3
Surface Tension: 57.6 dyne/cm
Density: 1.406 g/cm3
Flash Point: 187.6 °C
Enthalpy of Vaporization: 67.04 kJ/mol
Boiling Point: 386.6 °C at 760 mmHg
Vapour Pressure: 1.14E-06 mmHg at 25°C
Melting point: 182-187 °C(lit.)
SMILES: Clc1ccccc1NCC(=O)O
InChI: InChI=1/C8H8ClNO2/c9-6-3-1-2-4-7(6)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)
Product Categories: Amino Acids series; pharmacetical; chiral
WGK Germany: 3
Benzeneacetic acid, a-amino-2-chloro-, (aS)- , with CAS number of 141315-50-6, can be called (S)-Amino-(2-chloro-phenyl)-acetic acid ; (S)-(+)-Alpha-amino-(2-chlorophenyl)acetic acid ; (S)-(+)-A-Amino-(2-chlorophenyl)acetic acid ; (S)-(+)-2-Chlorophenylglycine ; s-(+)-2-(2-chloro phenyl)glycine ; L-(+)-2-Chlorophenylglycine ; L-(2-Chlorophenyl)glycine ; (L)-(-)-Alpha-amino-(2-chlorophenyl)acetic acid . It is a white to light yellow crystal powder.
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