2-[(1S)-1-Chloro-2-Ethoxy-2-Oxoethyl]-5-[(Diaminomethylene)Amino]Benzoic Acid

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Properties Simple | Detailed

Formula C12H14ClN3O4
IUPAC Name 2-[(1s)-1-chloro-2-ethoxy-2-oxo-ethyl]-5-guanidino-benzoic acid
Molecular Mass 299.710 g·mol−1
Heat of Formation -621.9 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 326.71 Å 3
Surface Area 305.84 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(1s)-1-chloro-2-ethoxy-2-keto-ethyl]-5-guanidino-benzoic acid
  • 2-[(1s)-1-chloro-2-ethoxy-2-oxo-ethyl]-5-(diaminomethylideneamino)benzoic acid
  • 2-[(1s)-1-chloro-2-ethoxy-2-oxo-ethyl]-5-guanidino-benzoic acid
  • 2-[(1s)-1-chloro-2-ethoxy-2-oxoethyl]-5-(diaminomethylideneamino)benzoic acid
  • 2-[(1s)-1-chloro-2-ethoxy-2-oxoethyl]-5-guanidinobenzoic acid
InChIKey HIYFNBISGUASFH-VIFPVBQESA-N
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Elements H C Cl O N