543722-25-4
CYCLOPENTANECARBOXAMIDE, N-(2-METHYL-5-NITROPHENYL)-
NameCYCLOPENTANECARBOXAMIDE, N-(2-METHYL-5-NITROPHENYL)-
1Identification
【Name】
CYCLOPENTANECARBOXAMIDE, N-(2-METHYL-5-NITROPHENYL)-
【CAS】
【MDL】
MFCD03373927
【English Synonyms】
【Formula】
C13 H16 N2 O3
【MolWeight】
248.28
【Inchi】
InChI=1S/C13H16N2O3/c1-9-6-7-11(15(17)18)8-12(9)14-13(16)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,14,16)
【InChIKey】
InChIKey=JKPHXNBCWLDKOP-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1NC(=O)C2CCCC2)[N+](=O)[O-]
【MOL File】
CYCLOPENTANECARBOXAM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CYCLOPENTANECARBOXAMIDE, N-(2-METHYL-5-NITROPHENYL)-.cml