(1S,2R)-2-[(2,5-Difluorophenyl)Carbamoyl]Cyclopropanecarboxylic Acid

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Formula C11H9F2NO3
IUPAC Name (1s,2r)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid
Molecular Mass 241.191 g·mol−1
Heat of Formation -750.6 ± 16.7 kJ·mol−1
Dipole Moment 3.92 ± 1.08 D
Volume 256.54 Å 3
Surface Area 243.25 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
  • (1s,2r)-2-[[(2,5-difluorophenyl)amino]-oxomethyl]-1-cyclopropanecarboxylic acid
InChIKey QTWGHTBKFVANGX-RQJHMYQMSA-N
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