727718-14-1
2-(DIETHYLAMINO)-5-NITROBENZOIC ACID
Name2-(DIETHYLAMINO)-5-NITROBENZOIC ACID
1Identification
【Name】
2-(DIETHYLAMINO)-5-NITROBENZOIC ACID
【CAS】
【MDL】
MFCD04619545
【English Synonyms】
【Formula】
C11 H14 N2 O4
【MolWeight】
238.242
【Inchi】
InChI=1S/C11H14N2O4/c1-3-12(4-2)10-6-5-8(13(16)17)7-9(10)11(14)15/h5-7H,3-4H2,1-2H3,(H,14,15)
【InChIKey】
InChIKey=GFWRJXGWOSGFEZ-UHFFFAOYSA-N
【SMILES】
CCN(CC)c1ccc(cc1C(=O)O)[N+](=O)[O-]
【MOL File】
2-(DIETHYLAMINO)-5-N….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(DIETHYLAMINO)-5-NITROBENZOIC ACID.cml