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2,3-Difluoro-D-phenylalanine

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Name

2,3-Difluoro-D-phenylalanine

EINECS N/A
CAS No. 266360-59-2 Density 1.379g/cm3
PSA 63.32000 LogP 1.61950
Solubility N/A Melting Point N/A
Formula C9H9F2NO2 Boiling Point 306.9 °C at 760 mmHg
Molecular Weight 201.173 Flash Point 139.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 266360-59-2 (2,3-Difluoro-D-phenylalanine) Hazard Symbols N/A
Synonyms

2,3-Difluoro-D-Phenylalanine;D-2,3-DIFLUOROPHENYLALANINE;D-Phenylalanine,2,3-difluoro;2,3-BUTYLENE OXIDE;

 

2,3-Difluoro-D-phenylalanine Specification

The 2,3-Difluoro-D-phenylalanine, with CAS registry number 266360-59-2, has the systematic name of (2R)-2-ammonio-3-(2,3-difluorophenyl)propanoate. And the chemical formula of this chemical is C9H9F2NO2.

Physical properties about this chemical are: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.37; (4)ACD/LogD (pH 7.4): -1.4; (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: 37.3 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 45.48 cm3; (15)Molar Volume: 145.8 cm3; (16)Polarizability: 18.03×10-24cm3; (17)Surface Tension: 49.1 dyne/cm; (18)Enthalpy of Vaporization: 57.8 kJ/mol; (19)Vapour Pressure: 0.000327 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(cccc1F)C[C@H](C([O-])=O)[NH3+]
(2)InChI: InChI=1/C9H9F2NO2/c10-6-3-1-2-5(8(6)11)4-7(12)9(13)14/h1-3,7H,4,12H2,(H,13,14)/t7-/m1/s1
(3)InChIKey: KSUXKFDPNKLPHX-SSDOTTSWBG
(4)Std. InChI: InChI=1S/C9H9F2NO2/c10-6-3-1-2-5(8(6)11)4-7(12)9(13)14/h1-3,7H,4,12H2,(H,13,14)/t7-/m1/s1
(5)Std. InChIKey: KSUXKFDPNKLPHX-SSDOTTSWSA-N

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