74980-11-3
DIETHYL 2-(ACETAMIDO)-2-(2-(BROMOMETHYL)-5-NITROBENZYL)MALONATE
NameDIETHYL 2-(ACETAMIDO)-2-(2-(BROMOMETHYL)-5-NITROBENZYL)MALONATE
1Identification
【Name】
DIETHYL 2-(ACETAMIDO)-2-(2-(BROMOMETHYL)-5-NITROBENZYL)MALONATE
【CAS】
【MDL】
MFCD09751314
【English Synonyms】
【Formula】
C17 H21 Br N2 O7
【MolWeight】
445.264
【Inchi】
InChI=1S/C17H21BrN2O7/c1-4-26-15(22)17(19-11(3)21,16(23)27-5-2)9-13-8-14(20(24)25)7-6-12(13)10-18/h6-8H,4-5,9-10H2,1-3H3,(H,19,21)
【InChIKey】
InChIKey=VCCPQPAZFRNSGX-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C(Cc1cc(ccc1CBr)[N+](=O)[O-])(C(=O)OCC)NC(=O)C
【MOL File】
DIETHYL 2-(ACETAMIDO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DIETHYL 2-(ACETAMIDO)-2-(2-(BROMOMETHYL)-5-NITROBENZYL)MALONATE.cml