527696-77-1
(9H-FLUOREN-9-YL)METHYL (S)-1-(METHOXYCARBONYL)-2-IODOETHYLCARBAMATE
Name(9H-FLUOREN-9-YL)METHYL (S)-1-(METHOXYCARBONYL)-2-IODOETHYLCARBAMATE
1Identification
【Name】
(9H-FLUOREN-9-YL)METHYL (S)-1-(METHOXYCARBONYL)-2-IODOETHYLCARBAMATE
【CAS】
【MDL】
MFCD13189981
【English Synonyms】
【Formula】
C19 H18 I N O4
【MolWeight】
451.254
【Inchi】
InChI=1S/C19H18INO4/c1-24-18(22)17(10-20)21-19(23)25-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16-17H,10-11H2,1H3,(H,21,23)/t17-/m1/s1
【InChIKey】
InChIKey=CWUVRMHOLORRBM-QGZVFWFLSA-N
【SMILES】
COC(=O)[C@@H](CI)NC(=O)OCC1c2ccccc2-c3c1cccc3
【MOL File】
(9H-FLUOREN-9-YL)MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
(9H-FLUOREN-9-YL)METHYL (S)-1-(METHOXYCARBONYL)-2-IODOETHYLCARBAMATE.cml