733030-43-8
(4-[(DIETHYLAMINO)SULFONYL]-2-NITROPHENOXY)ACETIC ACID
Name(4-[(DIETHYLAMINO)SULFONYL]-2-NITROPHENOXY)ACETIC ACID
1Identification
【Name】
(4-[(DIETHYLAMINO)SULFONYL]-2-NITROPHENOXY)ACETIC ACID
【CAS】
【MDL】
MFCD04635809
【English Synonyms】
【Formula】
C12 H16 N2 O7 S
【MolWeight】
332.331
【Inchi】
InChI=1S/C12H16N2O7S/c1-3-13(4-2)22(19,20)9-5-6-11(21-8-12(15)16)10(7-9)14(17)18/h5-7H,3-4,8H2,1-2H3,(H,15,16)
【InChIKey】
InChIKey=ZQTFODJAPSGKLT-UHFFFAOYSA-N
【SMILES】
CCN(CC)S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])OCC(=O)O
【MOL File】
(4-[(DIETHYLAMINO)SU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(4-[(DIETHYLAMINO)SULFONYL]-2-NITROPHENOXY)ACETIC ACID.cml