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p-Toluenesulfonyl isocyanate PTSI Tosyl isocyanate	Predict NMR spectrum	RN:  4083-64-1 MF:  C8H7NO3S MW:  197.20848 bp (°C):  144  (p=10 torr) density:  1.29 nd:  1.533  - 1.535
InChI:  1S/C8H7NO3S/c1-7-2-4-8(5-3-7)13(11,12)9-6-10/h2-5H,1H3 InChIKey:  VLJQDHDVZJXNQL-UHFFFAOYSA-N	H donor:  0 H acceptor:  4 Rotatable bond:  1 Stereocenter:  0	cLogP:  1.677 cLogS:  -2.066 Polar surface:  71.95 NEW: 3D model:  Show
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