42407-05-6
4,5-DIHYDRO-4,4-DIMETHYL-2-(4-NITROPHENYL)OXAZOLE
Name4,5-DIHYDRO-4,4-DIMETHYL-2-(4-NITROPHENYL)OXAZOLE
1Identification
【Name】
4,5-DIHYDRO-4,4-DIMETHYL-2-(4-NITROPHENYL)OXAZOLE
【CAS】
【MDL】
MFCD01830145
【English Synonyms】
【Formula】
C11 H12 N2 O3
【MolWeight】
220.227
【Inchi】
InChI=1S/C11H12N2O3/c1-11(2)7-16-10(12-11)8-3-5-9(6-4-8)13(14)15/h3-6H,7H2,1-2H3
【InChIKey】
InChIKey=XYFBYFUMLQSBIH-UHFFFAOYSA-N
【SMILES】
CC1(COC(=N1)c2ccc(cc2)[N+](=O)[O-])C
【MOL File】
4,5-DIHYDRO-4,4-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,5-DIHYDRO-4,4-DIMETHYL-2-(4-NITROPHENYL)OXAZOLE.cml