4-(3-Phenyl-4,5-Dihydro-1H-Pyrazol-1-Yl)Benzenesulfonyl Chloride

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Properties Simple | Detailed

Formula C15H13ClN2O2S
IUPAC Name 4-(5-phenyl-3,4-dihydropyrazol-2-yl)benzenesulfonyl chloride
Molecular Mass 320.794 g·mol−1
Heat of Formation -2.3 ± 16.7 kJ·mol−1
Dipole Moment 10.80 ± 1.08 D
Volume 345.14 Å 3
Surface Area 317.27 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(3'-phenyl-2'-pyrazolin-1'-yl)benzenesulfonyl chloride
  • 4-(3-phenyl-4,5-dihydropyrazol-1-yl)benzenesulfonyl chloride
  • 4-ppbsc
  • benzenesulfonyl chloride, 4-(4,5-dihydro-3-phenyl-1h-pyrazol-1-yl)-
CAS Number(s)
  • 41479-13-4
InChIKey YEWUENGGJVOXJM-UHFFFAOYSA-N
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