3-[(4-Chlorophenyl)Carbamoyl]-2-Naphthyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C17H17ClNO5P
IUPAC Name [7-[(4-chlorophenyl)carbamoyl]tetralin-1,2,3,4-tetraid-6-yl] dihydrogen phosphate
Molecular Mass 381.747 g·mol−1
Heat of Formation -982.8 ± 16.7 kJ·mol−1
Dipole Moment 4.98 ± 1.08 D
Volume 393.63 Å 3
Surface Area 351.28 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • [3-[(4-chlorophenyl)carbamoyl]-2-naphthyl] dihydrogen phosphate
  • [3-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate
  • [3-[[(4-chlorophenyl)amino]-oxomethyl]-2-naphthyl] dihydrogen phosphate
  • kg-501
  • n-(4-chlorophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide
  • n3p
  • naphthol as-e phosphate
CAS Number(s)
  • 18228-17-6
InChIKey RQAQWBFHPMSXKR-UHFFFAOYSA-N
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Elements C Cl H O N P