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325-69-9

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Basic Information
CAS No.: 325-69-9
Name: 2-fluorophenylalanine
Article Data: 37
Molecular Structure:
Molecular Structure of 325-69-9 (2-fluorophenylalanine)
Formula: C9H10FNO2
Molecular Weight: 183.182
Synonyms: Phenylalanine, 2-fluoro- (9CI);3-(o-Fluorophenyl)alanine;DL-2-Fluorophenylalanine;DL-o-Fluorophenylalanine;o-Fluorophenylalanine;
Density: 1.293 g/cm3
Boiling Point: 308.1 °C at 760 mmHg
Flash Point: 140.1 °C
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Specification

This chemical is called 3-(o-Fluorophenyl)alanine, and its systematic name is 2-Fluorophenylalanine. With the molecular formula of C9H10FNO2, its molecular weight is 183.18. The CAS registry number of this chemical is 325-69-9, and its classification code is Mutation data.

Other characteristics of the 3-(o-Fluorophenyl)alanine can be summarised as followings: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.33; (4)ACD/LogD (pH 7.4): -1.36; (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: 4; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 45.48 cm3; (15)Molar Volume: 141.6 cm3; (16)Polarizability: 18.03×10-24cm3; (17)Surface Tension: 51.2 dyne/cm; (18)Density: 1.293 g/cm3; (19)Flash Point: 140.1 °C; (20)Enthalpy of Vaporization: 57.94 kJ/mol; (21)Boiling Point: 308.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000301 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Fc1ccccc1CC(C(=O)O)N
2.InChI: InChI=1/C9H10FNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
3.InChIKey: NYCRCTMDYITATC-UHFFFAOYAF