Isopropyl 2-Chloro-5-[(2-Methyl-5,6-Dihydro-1,4-Oxathiin-3-Carbonyl)Amino]Benzoate

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Properties Simple | Detailed

Formula C16H18ClNO4S
IUPAC Name isopropyl 2-chloro-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate
Molecular Mass 355.836 g·mol−1
Heat of Formation -678.1 ± 16.7 kJ·mol−1
Dipole Moment 5.15 ± 1.08 D
Volume 390.98 Å 3
Surface Area 354.44 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl ethyl 1-chloro-5-[[(5,6dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl]amino]benzoate
  • 1-methylethyl-2-chloro-5-[[5,6-dihydro-2-methyl- 1,4-oxathiin-3-yl-carbonyl]-amino]benzoate
  • 2-chloro-5-((5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)carbonylamino)benzoic acid 1-methylethyl ester
  • 2-chloro-5-[(2-methyl5,6-dihydro-1,4-oxathiine-3-carbonyl)amino]benzoic acid isopropyl ester
  • 2-chloro-5-[[(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)-oxomethyl]amino]benzoic acid isopropyl ester
  • benzoic acid, 2-chloro-5-(((5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl)amino)-, 1-methylethyl ester
  • benzoic acid, 2-chloro-5[(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)carbonylamino]isopropyl ester
  • isopropyl 2-chloro-5-[(2-methyl5,6-dihydro-1,4-oxathiine-3-carbonyl)amino]benzoate
  • oxathiin carboxanilide
  • propan-2-yl 2-chloro-5-[(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)carbonylamino]benzoate
  • propan-2-yl 2-chloro-5-[(2-methyl5,6-dihydro-1,4-oxathiine-3-carbonyl)amino]benzoate
  • uc-84
  • uc4
  • uc84
CAS Number(s)
  • 135812-04-3
InChIKey FMQGUMRNTBJHEA-UHFFFAOYSA-N
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