240799-73-9
5-[2-(DIMETHYLAMINO)VINYL]-3-PHENYL-4-ISOXAZOLECARBONITRILE
Name5-[2-(DIMETHYLAMINO)VINYL]-3-PHENYL-4-ISOXAZOLECARBONITRILE
1Identification
【Name】
5-[2-(DIMETHYLAMINO)VINYL]-3-PHENYL-4-ISOXAZOLECARBONITRILE
【CAS】
【MDL】
MFCD00127045
【English Synonyms】
【Formula】
C14 H13 N3 O
【MolWeight】
239.277
【Inchi】
InChI=1S/C14H13N3O/c1-17(2)9-8-13-12(10-15)14(16-18-13)11-6-4-3-5-7-11/h3-9H,1-2H3/b9-8+
【InChIKey】
InChIKey=AGJHGAJHGLQLHV-CMDGGOBGSA-N
【SMILES】
CN(C)/C=C/c1c(c(no1)c2ccccc2)C#N
【MOL File】
5-[2-(DIMETHYLAMINO)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[2-(DIMETHYLAMINO)VINYL]-3-PHENYL-4-ISOXAZOLECARBONITRILE.cml