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682803-80-1

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Basic Information
CAS No.: 682803-80-1
Name: 3-AMINO-3-(2-CHLORO-6-FLUORO-PHENYL)-PROPIONIC ACID
Molecular Structure:
Molecular Structure of 682803-80-1 (3-AMINO-3-(2-CHLORO-6-FLUORO-PHENYL)-PROPIONIC ACID)
Formula: C9H9 Cl F N O2
Molecular Weight: 217.62
Synonyms: RARECHEM AK HW 0069;3-AMINO-3-(2-CHLORO-6-FLUORO-PHENYL)-PROPIONIC ACID
Density: 1.413g/cm3
Boiling Point: 325.2°C at 760 mmHg
Flash Point: 150.5°C
PSA: 63.32000
LogP: 2.65390
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Chemistry


Systematic Name: 3-Amino-3-(2-chloro-6-fluorophenyl)propanoic acid 
SMILES: Clc1cccc(F)c1C(N)CC(=O)O
InChI: InChI=1/C9H9ClFNO2/c10-5-2-1-3-6(11)9(5)7(12)4-8(13)14/h1-3,7H,4,12H2,(H,13,14)
InChIKey: QKRVNAILNVDTIJ-UHFFFAOYAI 
Empirical Formula: C9H9ClFNO2 
Molecular Weight: 217.6247 
Nominal Mass: 217
Average Mass: 217.6247
Monoisotopic Mass: 217.030584
H bond acceptors: 3 
H bond donors: 3 
Freely Rotating Bonds: 4
Index of Refraction: 1.568 
Molar Refractivity: 50.42 cm3 
Molar Volume: 153.9 cm3
Surface Tension: 53.3 dyne/cm 
Density: 1.413 g/cm3 
Flash Point: 150.5 °C 
Enthalpy of Vaporization: 59.89 kJ/mol 
Boiling Point: 325.2 °C at 760 mmHg 
Vapour Pressure of 3-Amino-3-(2-chloro-6-fluorophenyl)propanoic acid (CAS NO.682803-80-1): 9.52E-05 mmHg at 25 °C

Specification

 3-Amino-3-(2-chloro-6-fluorophenyl)propanoic acid (CAS NO.682803-80-1), its Synonym is Benzenepropanoic acid, beta-amino-2-chloro-6-fluoro- .