743441-89-6
[2-(CHLOROMETHYL)-6,7-DIMETHOXY-4-OXOQUINAZOLIN-3(4H)-YL]ACETONITRILE
Name[2-(CHLOROMETHYL)-6,7-DIMETHOXY-4-OXOQUINAZOLIN-3(4H)-YL]ACETONITRILE
1Identification
【Name】
[2-(CHLOROMETHYL)-6,7-DIMETHOXY-4-OXOQUINAZOLIN-3(4H)-YL]ACETONITRILE
【CAS】
【MDL】
MFCD05262941
【English Synonyms】
【Formula】
C13 H12 Cl N3 O3
【MolWeight】
293.709
【Inchi】
InChI=1S/C13H12ClN3O3/c1-19-10-5-8-9(6-11(10)20-2)16-12(7-14)17(4-3-15)13(8)18/h5-6H,4,7H2,1-2H3
【InChIKey】
InChIKey=GYFIDNPFDJOVKL-UHFFFAOYSA-N
【SMILES】
COc1cc2c(cc1OC)nc(n(c2=O)CC#N)CCl
【MOL File】
[2-(CHLOROMETHYL)-6,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[2-(CHLOROMETHYL)-6,7-DIMETHOXY-4-OXOQUINAZOLIN-3(4H)-YL]ACETONITRILE.cml