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439213-22-6

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Basic Information
CAS No.: 439213-22-6
Name: METHYL D-2-(4-FLUOROPHENYL)GLYCINATE HCL
Article Data: 3
Molecular Structure:
Molecular Structure of 439213-22-6 (METHYL D-2-(4-FLUOROPHENYL)GLYCINATE HCL)
Formula: C9H10FNO2.HCl
Molecular Weight: 219.643
Synonyms: Benzeneaceticacid, a-amino-4-fluoro-, methyl ester,hydrochloride, (aR)-(9CI);
Boiling Point: 278.6 °C at 760 mmHg
Flash Point: 122.3 °C
PSA: 52.32000
LogP: 2.50080
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Specification

This chemical is called Methyl D-2-(4-fluorophenyl)glycinate hydrochloride. With the molecular formula of C9H10FNO2.HCl, its molecular weight is 219.64. The CAS registry number of this chemical is 439213-22-6.

Other characteristics of the Methyl D-2-(4-fluorophenyl)glycinate hydrochloride can be summarised as followings: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.11; (4)ACD/LogD (pH 7.4): 1.13; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 52.32 Å2; (9)Flash Point: 122.3 °C; (10)Enthalpy of Vaporization: 52.76 kJ/mol; (11)Boiling Point: 278.6 °C at 760 mmHg; (12)Vapour Pressure: 0.00325 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: N[C@H](c1ccc(F)cc1)C(=O)OC.Cl
2.InChI: InChI=1/C9H10FNO2.ClH/c1-13-9(12)8(11)6-2-4-7(10)5-3-6;/h2-5,8H,11H2,1H3;1H/t8-;/m1./s1
3.InChIKey: JLGSKYIBZLQSFR-DDWIOCJRBT