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746595-89-1

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Basic Information
CAS No.: 746595-89-1
Name: (R)-3-AMINO-4-(3-FLUORO-PHENYL)-BUTYRIC ACID
Molecular Structure:
Molecular Structure of 746595-89-1 ((R)-3-AMINO-4-(3-FLUORO-PHENYL)-BUTYRIC ACID)
Formula: C10H12FNO2
Molecular Weight: 197.209
Synonyms: (R)-3-AMINO-4-(3-FLUOROPHENYL)BUTANOIC ACID;(R)-3-AMINO-4-(3-FLUORO-PHENYL)-BUTYRIC ACID
Density: 1.246 g/cm3
Melting Point: 327.3 °C at 760 mmHg
Boiling Point: 151.8 °C
Flash Point: 151.8°C
PSA: 63.32000
LogP: 1.87050
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Specification

This chemical is called (R)-3-Amino-4-(3-fluorophenyl)butyric acid, and its systematic name is (3R)-3-amino-4-(3-fluorophenyl)butanoic acid. With the molecular formula of C10H12FNO2, its molecular weight is 197.21. The CAS registry number of this chemical is 746595-89-1.

Other characteristics of the (R)-3-Amino-4-(3-fluorophenyl)butyric acid can be summarised as followings: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.12; (4)ACD/LogD (pH 7.4): -1.12; (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: 5; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 50.12 cm3; (15)Molar Volume: 158.1 cm3; (16)Polarizability: 19.86×10-24cm3; (17)Surface Tension: 49.1 dyne/cm; (18)Density: 1.246 g/cm3; (19)Flash Point: 151.8 °C; (20)Enthalpy of Vaporization: 60.13 kJ/mol; (21)Boiling Point: 327.3 °C at 760 mmHg; (22)Vapour Pressure: 8.25E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Fc1cc(ccc1)C[C@@H](N)CC(=O)O
2.InChI: InChI=1/C10H12FNO2/c11-8-3-1-2-7(4-8)5-9(12)6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m1/s1
3.InChIKey: UVEHSQZQGJXLEV-SECBINFHBJ