3-(4-Chloro-3-Oxo-2,3-Dihydro-1,2-Oxazol-5-Yl)-L-Alanine

Molecule SVG Image

Properties Simple | Detailed

Formula C6H7ClN2O4
IUPAC Name (2s)-2-amino-3-(4-chloro-3-oxo-isoxazol-5-yl)propanoic acid
Molecular Mass 206.584 g·mol−1
Heat of Formation -519.9 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 208.92 Å 3
Surface Area 196.37 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy 2.17 ± eV
Point Group Symmetry C1
InChIKey FDSXCQTXUSQQFH-REOHCLBHSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl