477850-85-4
5-[2-(HYDROXYIMINO)ETHYL]-3-PHENYL-4-ISOXAZOLECARBONITRILE
Name5-[2-(HYDROXYIMINO)ETHYL]-3-PHENYL-4-ISOXAZOLECARBONITRILE
1Identification
【Name】
5-[2-(HYDROXYIMINO)ETHYL]-3-PHENYL-4-ISOXAZOLECARBONITRILE
【CAS】
【MDL】
MFCD00127105
【English Synonyms】
【Formula】
C12 H9 N3 O2
【MolWeight】
227.222
【Inchi】
InChI=1S/C12H9N3O2/c13-8-10-11(6-7-14-16)17-15-12(10)9-4-2-1-3-5-9/h1-5,7,16H,6H2/b14-7+
【InChIKey】
InChIKey=SQVBDJBZCFCNMS-VGOFMYFVSA-N
【SMILES】
c1ccc(cc1)c2c(c(on2)C/C=N/O)C#N
【MOL File】
5-[2-(HYDROXYIMINO)E….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[2-(HYDROXYIMINO)ETHYL]-3-PHENYL-4-ISOXAZOLECARBONITRILE.cml