5465-82-7
1-METHOXY-4-METHYL-2-[(4-METHYL-2-NITROPHENYL)SULFONYL]BENZENE
Name1-METHOXY-4-METHYL-2-[(4-METHYL-2-NITROPHENYL)SULFONYL]BENZENE
1Identification
【Name】
1-METHOXY-4-METHYL-2-[(4-METHYL-2-NITROPHENYL)SULFONYL]BENZENE
【CAS】
【MDL】
MFCD19707481
【English Synonyms】
【Formula】
C15 H15 N O5 S
【MolWeight】
321.352
【Inchi】
InChI=1S/C15H15NO5S/c1-10-5-7-14(12(8-10)16(17)18)22(19,20)15-9-11(2)4-6-13(15)21-3/h4-9H,1-3H3
【InChIKey】
InChIKey=DXDOAQQENXKUMB-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)c2cc(ccc2OC)C
【MOL File】
1-METHOXY-4-METHYL-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-METHOXY-4-METHYL-2-[(4-METHYL-2-NITROPHENYL)SULFONYL]BENZENE.cml