913194-96-4
6-IODO-8-METHYL-1H-BENZO-1,3-OXAZINE-2,4-DIONE
Name6-IODO-8-METHYL-1H-BENZO-1,3-OXAZINE-2,4-DIONE
1Identification
【Name】
6-IODO-8-METHYL-1H-BENZO-1,3-OXAZINE-2,4-DIONE
【CAS】
【MDL】
MFCD09029818
【English Synonyms】
【Formula】
C9 H6 I N O3
【MolWeight】
303.05
【Inchi】
InChI=1S/C9H6INO3/c1-4-2-5(10)3-6-7(4)11-9(13)14-8(6)12/h2-3H,1H3,(H,11,13)
【InChIKey】
InChIKey=ARJUBKFFRMOQTO-UHFFFAOYSA-N
【SMILES】
Cc1cc(cc2c1[nH]c(=O)oc2=O)I
【MOL File】
6-IODO-8-METHYL-1H-B….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-IODO-8-METHYL-1H-BENZO-1,3-OXAZINE-2,4-DIONE.cml